Natural Product: NPC94637

Natural Product ID:  NPC94637
Common Name:   Ethyl Salicylate
IUPAC Name:   ethyl 2-hydroxybenzoate
Synonyms:  
Molecular Formula:   C9H10O3
Standard InCHIKey:  GYCKQBWUSACYIF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
Canonical SMILES:  CCOC(=O)c1ccccc1O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[17314143]
NPO7510 Ixora chinensis Species Rubiaceae Eukaryota TCMID*
NPO23768 Camellia saluenensis Species Theaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1280 Organism Thrips tabaci Thrips tabaci Ratio = 3 17602496
NPT1281 Organism Thrips obscuratus Thrips obscuratus Ratio = 48.5 17602496
NPT1281 Organism Thrips obscuratus Thrips obscuratus Ratio = 32.6 17602496
NPT2 Others Unspecified Potency 668.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 33330 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 40000 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3981.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 39810.7 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC94637 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.991 High Similarity NPC328459
0.991 High Similarity NPC90522
0.9821 High Similarity NPC72977
0.9818 High Similarity NPC128825
0.9646 High Similarity NPC233282
0.9322 High Similarity NPC4164
0.9211 High Similarity NPC217423
0.9091 High Similarity NPC100551
0.9068 High Similarity NPC311219
0.9035 High Similarity NPC188907
0.9027 High Similarity NPC211421
0.8926 High Similarity NPC95309
0.8917 High Similarity NPC91475
0.8917 High Similarity NPC265910
0.8852 High Similarity NPC71525
0.8814 High Similarity NPC230951
0.8803 High Similarity NPC27633
0.8803 High Similarity NPC94298
0.879 High Similarity NPC12694
0.8783 High Similarity NPC81808
0.876 High Similarity NPC6888
0.875 High Similarity NPC224584
0.873 High Similarity NPC289572
0.873 High Similarity NPC295406
0.873 High Similarity NPC200422
0.873 High Similarity NPC43627
0.873 High Similarity NPC157478
0.872 High Similarity NPC214702
0.872 High Similarity NPC7012
0.872 High Similarity NPC470831
0.8718 High Similarity NPC125252
0.8718 High Similarity NPC45104
0.8699 High Similarity NPC181715
0.8661 High Similarity NPC303264
0.8661 High Similarity NPC474097
0.864 High Similarity NPC307732
0.864 High Similarity NPC42292
0.8632 High Similarity NPC131192
0.8607 High Similarity NPC184219
0.8594 High Similarity NPC71108
0.8594 High Similarity NPC229638
0.8594 High Similarity NPC29317
0.8594 High Similarity NPC267539
0.8594 High Similarity NPC204257
0.8594 High Similarity NPC176102
0.8594 High Similarity NPC254832
0.8537 High Similarity NPC287473
0.8534 High Similarity NPC53953
0.8534 High Similarity NPC223004
0.848 Intermediate Similarity NPC293453
0.8475 Intermediate Similarity NPC312800
0.8462 Intermediate Similarity NPC276111
0.8462 Intermediate Similarity NPC118288
0.8455 Intermediate Similarity NPC4012
0.8455 Intermediate Similarity NPC193805
0.845 Intermediate Similarity NPC27407
0.845 Intermediate Similarity NPC142027
0.8443 Intermediate Similarity NPC67300
0.8443 Intermediate Similarity NPC46634
0.8443 Intermediate Similarity NPC217756
0.8438 Intermediate Similarity NPC153783
0.843 Intermediate Similarity NPC159760
0.843 Intermediate Similarity NPC244994
0.843 Intermediate Similarity NPC222876
0.843 Intermediate Similarity NPC272454
0.843 Intermediate Similarity NPC115188
0.843 Intermediate Similarity NPC292665
0.843 Intermediate Similarity NPC301987
0.843 Intermediate Similarity NPC179092
0.843 Intermediate Similarity NPC26433
0.843 Intermediate Similarity NPC35856
0.843 Intermediate Similarity NPC178395
0.8425 Intermediate Similarity NPC198249
0.8417 Intermediate Similarity NPC184579
0.8417 Intermediate Similarity NPC233165
0.8413 Intermediate Similarity NPC238309
0.8413 Intermediate Similarity NPC8005
0.8413 Intermediate Similarity NPC78662
0.8403 Intermediate Similarity NPC240664
0.8387 Intermediate Similarity NPC240744
0.8387 Intermediate Similarity NPC167055
0.8385 Intermediate Similarity NPC291454
0.8359 Intermediate Similarity NPC470160
0.8333 Intermediate Similarity NPC41567
0.8333 Intermediate Similarity NPC186098
0.8333 Intermediate Similarity NPC241089
0.8333 Intermediate Similarity NPC80694
0.8333 Intermediate Similarity NPC52358
0.8304 Intermediate Similarity NPC304638
0.8295 Intermediate Similarity NPC472591
0.8293 Intermediate Similarity NPC291189
0.8293 Intermediate Similarity NPC69403
0.8293 Intermediate Similarity NPC132518
0.8293 Intermediate Similarity NPC477151
0.8291 Intermediate Similarity NPC17693
0.8281 Intermediate Similarity NPC219892
0.8281 Intermediate Similarity NPC189823
0.8264 Intermediate Similarity NPC61779
0.8264 Intermediate Similarity NPC161617
0.8258 Intermediate Similarity NPC126739
0.8258 Intermediate Similarity NPC478200
0.8258 Intermediate Similarity NPC33144
0.8258 Intermediate Similarity NPC221104
0.8258 Intermediate Similarity NPC197666
0.8254 Intermediate Similarity NPC264428
0.825 Intermediate Similarity NPC121259
0.8244 Intermediate Similarity NPC235115
0.824 Intermediate Similarity NPC49938
0.8235 Intermediate Similarity NPC161304
0.8235 Intermediate Similarity NPC240163
0.822 Intermediate Similarity NPC279916
0.8211 Intermediate Similarity NPC198336
0.8209 Intermediate Similarity NPC472035
0.8209 Intermediate Similarity NPC478201
0.8209 Intermediate Similarity NPC470842
0.8205 Intermediate Similarity NPC114682
0.8197 Intermediate Similarity NPC260837
0.8197 Intermediate Similarity NPC470092
0.8197 Intermediate Similarity NPC474874
0.8197 Intermediate Similarity NPC294964
0.8195 Intermediate Similarity NPC19622
0.8195 Intermediate Similarity NPC112789
0.8189 Intermediate Similarity NPC473744
0.8182 Intermediate Similarity NPC184527
0.8182 Intermediate Similarity NPC135837
0.8182 Intermediate Similarity NPC261292
0.8182 Intermediate Similarity NPC70380
0.8182 Intermediate Similarity NPC283844
0.8182 Intermediate Similarity NPC276775
0.8182 Intermediate Similarity NPC92754
0.8182 Intermediate Similarity NPC249912
0.8182 Intermediate Similarity NPC301915
0.8182 Intermediate Similarity NPC71256
0.8175 Intermediate Similarity NPC110211
0.8175 Intermediate Similarity NPC204579
0.8174 Intermediate Similarity NPC141523
0.8167 Intermediate Similarity NPC128249
0.816 Intermediate Similarity NPC117794
0.816 Intermediate Similarity NPC221798
0.816 Intermediate Similarity NPC470162
0.816 Intermediate Similarity NPC470163
0.8158 Intermediate Similarity NPC227255
0.8154 Intermediate Similarity NPC287533
0.8151 Intermediate Similarity NPC163154
0.8151 Intermediate Similarity NPC41851
0.8145 Intermediate Similarity NPC244351
0.8145 Intermediate Similarity NPC283514
0.8142 Intermediate Similarity NPC13426
0.8134 Intermediate Similarity NPC275903
0.8134 Intermediate Similarity NPC158472
0.813 Intermediate Similarity NPC165197
0.8125 Intermediate Similarity NPC60558
0.8125 Intermediate Similarity NPC473019
0.8125 Intermediate Similarity NPC187907
0.8125 Intermediate Similarity NPC261759
0.8125 Intermediate Similarity NPC253746
0.812 Intermediate Similarity NPC332594
0.812 Intermediate Similarity NPC94248
0.812 Intermediate Similarity NPC476003
0.812 Intermediate Similarity NPC191835
0.812 Intermediate Similarity NPC61590
0.812 Intermediate Similarity NPC212693
0.8115 Intermediate Similarity NPC472593
0.811 Intermediate Similarity NPC305518
0.811 Intermediate Similarity NPC128428
0.811 Intermediate Similarity NPC293387
0.8108 Intermediate Similarity NPC225060
0.8108 Intermediate Similarity NPC78701
0.8108 Intermediate Similarity NPC35448
0.8103 Intermediate Similarity NPC31274
0.8103 Intermediate Similarity NPC206341
0.8099 Intermediate Similarity NPC160199
0.8099 Intermediate Similarity NPC269414
0.8095 Intermediate Similarity NPC472592
0.8092 Intermediate Similarity NPC175943
0.8091 Intermediate Similarity NPC246679
0.8087 Intermediate Similarity NPC187913
0.808 Intermediate Similarity NPC477153
0.808 Intermediate Similarity NPC477152
0.8077 Intermediate Similarity NPC302844
0.8077 Intermediate Similarity NPC313618
0.8077 Intermediate Similarity NPC262359
0.8077 Intermediate Similarity NPC308037
0.8077 Intermediate Similarity NPC64359
0.8074 Intermediate Similarity NPC158634
0.8074 Intermediate Similarity NPC478217
0.8074 Intermediate Similarity NPC130485
0.8074 Intermediate Similarity NPC313123
0.8067 Intermediate Similarity NPC11824
0.8067 Intermediate Similarity NPC474363
0.8065 Intermediate Similarity NPC25168
0.8062 Intermediate Similarity NPC185497
0.8062 Intermediate Similarity NPC473271
0.806 Intermediate Similarity NPC105456
0.806 Intermediate Similarity NPC295339
0.806 Intermediate Similarity NPC92655
0.806 Intermediate Similarity NPC268052
0.806 Intermediate Similarity NPC32360
0.806 Intermediate Similarity NPC139634
0.8053 Intermediate Similarity NPC94343

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC94637 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9818 High Similarity NPD9493 Approved
0.9091 High Similarity NPD74 Approved
0.9091 High Similarity NPD9266 Approved
0.9068 High Similarity NPD9717 Approved
0.9 High Similarity NPD9267 Approved
0.9 High Similarity NPD9263 Approved
0.9 High Similarity NPD9264 Approved
0.8843 High Similarity NPD1203 Approved
0.8803 High Similarity NPD9545 Approved
0.8636 High Similarity NPD9261 Approved
0.8468 Intermediate Similarity NPD1019 Discontinued
0.8462 Intermediate Similarity NPD9281 Approved
0.8346 Intermediate Similarity NPD411 Approved
0.8333 Intermediate Similarity NPD6832 Phase 2
0.8321 Intermediate Similarity NPD1551 Phase 2
0.8295 Intermediate Similarity NPD447 Suspended
0.8281 Intermediate Similarity NPD520 Approved
0.8182 Intermediate Similarity NPD2935 Discontinued
0.8095 Intermediate Similarity NPD1164 Approved
0.8077 Intermediate Similarity NPD1240 Approved
0.8074 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8017 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.8015 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD1607 Approved
0.7926 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.792 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD230 Phase 1
0.7879 Intermediate Similarity NPD1933 Approved
0.7876 Intermediate Similarity NPD1238 Approved
0.7869 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD1510 Phase 2
0.7812 Intermediate Similarity NPD2797 Approved
0.7794 Intermediate Similarity NPD1549 Phase 2
0.7786 Intermediate Similarity NPD2313 Discontinued
0.7752 Intermediate Similarity NPD2798 Approved
0.7721 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD4308 Phase 3
0.7704 Intermediate Similarity NPD2799 Discontinued
0.7643 Intermediate Similarity NPD6799 Approved
0.7636 Intermediate Similarity NPD9258 Approved
0.7636 Intermediate Similarity NPD9256 Approved
0.7623 Intermediate Similarity NPD1241 Discontinued
0.7521 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD3268 Approved
0.7519 Intermediate Similarity NPD3764 Approved
0.7517 Intermediate Similarity NPD7411 Suspended
0.75 Intermediate Similarity NPD1201 Approved
0.75 Intermediate Similarity NPD2182 Approved
0.75 Intermediate Similarity NPD422 Phase 1
0.7483 Intermediate Similarity NPD5403 Approved
0.7482 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD1778 Approved
0.7479 Intermediate Similarity NPD3134 Approved
0.7465 Intermediate Similarity NPD5401 Approved
0.7464 Intermediate Similarity NPD2344 Approved
0.7464 Intermediate Similarity NPD2346 Discontinued
0.7462 Intermediate Similarity NPD3225 Approved
0.7458 Intermediate Similarity NPD164 Approved
0.7432 Intermediate Similarity NPD7768 Phase 2
0.7429 Intermediate Similarity NPD3750 Approved
0.7424 Intermediate Similarity NPD9494 Approved
0.7417 Intermediate Similarity NPD1358 Approved
0.7407 Intermediate Similarity NPD4307 Phase 2
0.7405 Intermediate Similarity NPD1470 Approved
0.7395 Intermediate Similarity NPD9697 Approved
0.7391 Intermediate Similarity NPD2796 Approved
0.7388 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD7075 Discontinued
0.7343 Intermediate Similarity NPD2534 Approved
0.7343 Intermediate Similarity NPD2532 Approved
0.7343 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD2533 Approved
0.7338 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6599 Discontinued
0.7323 Intermediate Similarity NPD1759 Phase 1
0.7323 Intermediate Similarity NPD1894 Discontinued
0.7308 Intermediate Similarity NPD1481 Phase 2
0.7297 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD7819 Suspended
0.7287 Intermediate Similarity NPD3496 Discontinued
0.728 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD943 Approved
0.7273 Intermediate Similarity NPD3267 Approved
0.7273 Intermediate Similarity NPD9259 Approved
0.7273 Intermediate Similarity NPD290 Approved
0.7273 Intermediate Similarity NPD3266 Approved
0.7273 Intermediate Similarity NPD9257 Approved
0.7266 Intermediate Similarity NPD5405 Approved
0.7266 Intermediate Similarity NPD5406 Approved
0.7266 Intermediate Similarity NPD5404 Approved
0.7266 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5408 Approved
0.7254 Intermediate Similarity NPD2309 Approved
0.7246 Intermediate Similarity NPD9279 Approved
0.7244 Intermediate Similarity NPD1758 Phase 1
0.7234 Intermediate Similarity NPD1243 Approved
0.7231 Intermediate Similarity NPD1535 Discovery
0.723 Intermediate Similarity NPD6801 Discontinued
0.7222 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4380 Phase 2
0.7203 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD7033 Discontinued
0.7183 Intermediate Similarity NPD7003 Approved
0.7183 Intermediate Similarity NPD4628 Phase 3
0.7183 Intermediate Similarity NPD1196 Approved
0.7179 Intermediate Similarity NPD9495 Approved
0.7176 Intermediate Similarity NPD1608 Approved
0.7176 Intermediate Similarity NPD9269 Phase 2
0.7167 Intermediate Similarity NPD1237 Approved
0.7153 Intermediate Similarity NPD1511 Approved
0.7143 Intermediate Similarity NPD3226 Approved
0.7143 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5402 Approved
0.7132 Intermediate Similarity NPD9268 Approved
0.7132 Intermediate Similarity NPD6798 Discontinued
0.713 Intermediate Similarity NPD1202 Approved
0.7123 Intermediate Similarity NPD920 Approved
0.7114 Intermediate Similarity NPD1934 Approved
0.7113 Intermediate Similarity NPD1195 Approved
0.7103 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD5647 Approved
0.7087 Intermediate Similarity NPD256 Approved
0.7087 Intermediate Similarity NPD255 Approved
0.7086 Intermediate Similarity NPD3882 Suspended
0.7077 Intermediate Similarity NPD4626 Approved
0.7073 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD3748 Approved
0.7071 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD1283 Approved
0.7067 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1512 Approved
0.7049 Intermediate Similarity NPD968 Approved
0.7047 Intermediate Similarity NPD2366 Approved
0.7045 Intermediate Similarity NPD3972 Approved
0.7042 Intermediate Similarity NPD9277 Approved
0.7042 Intermediate Similarity NPD75 Approved
0.7039 Intermediate Similarity NPD955 Approved
0.7039 Intermediate Similarity NPD3749 Approved
0.7039 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD454 Approved
0.7034 Intermediate Similarity NPD1543 Discontinued
0.702 Intermediate Similarity NPD3817 Phase 2
0.702 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD940 Approved
0.7 Intermediate Similarity NPD5691 Approved
0.7 Intermediate Similarity NPD846 Approved
0.6986 Remote Similarity NPD4662 Approved
0.6986 Remote Similarity NPD4661 Approved
0.6978 Remote Similarity NPD6355 Discontinued
0.6972 Remote Similarity NPD9276 Approved
0.6972 Remote Similarity NPD9278 Suspended
0.6972 Remote Similarity NPD9274 Approved
0.6972 Remote Similarity NPD9275 Approved
0.6966 Remote Similarity NPD7440 Discontinued
0.6957 Remote Similarity NPD6233 Phase 2
0.6954 Remote Similarity NPD2801 Approved
0.6947 Remote Similarity NPD17 Approved
0.694 Remote Similarity NPD1876 Approved
0.6934 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6933 Remote Similarity NPD5890 Approved
0.6933 Remote Similarity NPD5889 Approved
0.6929 Remote Similarity NPD6651 Approved
0.6923 Remote Similarity NPD1548 Phase 1
0.6913 Remote Similarity NPD3455 Phase 2
0.6913 Remote Similarity NPD7458 Discontinued
0.6905 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4476 Approved
0.6901 Remote Similarity NPD4477 Approved
0.6899 Remote Similarity NPD9568 Approved
0.6894 Remote Similarity NPD3847 Discontinued
0.6885 Remote Similarity NPD5909 Discontinued
0.6884 Remote Similarity NPD1048 Approved
0.6884 Remote Similarity NPD1296 Phase 2
0.6879 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6875 Remote Similarity NPD111 Approved
0.6875 Remote Similarity NPD2800 Approved
0.6875 Remote Similarity NPD5953 Discontinued
0.687 Remote Similarity NPD5585 Approved
0.6867 Remote Similarity NPD3684 Discontinued
0.6864 Remote Similarity NPD844 Approved
0.6863 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6859 Remote Similarity NPD6232 Discontinued
0.6855 Remote Similarity NPD7286 Phase 2
0.6853 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6853 Remote Similarity NPD6005 Phase 3
0.6853 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6853 Remote Similarity NPD6004 Phase 3
0.6853 Remote Similarity NPD6002 Phase 3
0.685 Remote Similarity NPD5277 Phase 2
0.6847 Remote Similarity NPD9491 Approved
0.6842 Remote Similarity NPD1281 Approved
0.6838 Remote Similarity NPD845 Approved
0.6838 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6835 Remote Similarity NPD4062 Phase 3
0.6828 Remote Similarity NPD8166 Discontinued
0.6824 Remote Similarity NPD9509 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   8365
ChEMBL   CHEMBL2251610
ZINC  

Physicochemical Properties

Molecular Weight:  166.06
ALogP:  -0.1987
MLogP:  2.12
XLogP:  3.008
# Rotatable Bonds:  5
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  12

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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