Natural Product: NPC208769

Natural Product ID:  NPC208769
Common Name:   4-Hydroxy-3,5-Dimethoxyphenyl Beta-D-Glucopyranosyl-(1->6)-Beta-D-Glucopyranosyl-(1->6)-Beta-D-Glucopyranoside
IUPAC Name:   (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3,5-dimethoxyphenoxy)oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C26H40O19
Standard InCHIKey:  XSZKQQFUCZZITK-XVWRWHHWSA-N
Standard InCHI:  InChI=1S/C26H40O19/c1-38-9-3-8(4-10(39-2)14(9)28)42-26-23(37)20(34)17(31)13(45-26)7-41-25-22(36)19(33)16(30)12(44-25)6-40-24-21(35)18(32)15(29)11(5-27)43-24/h3-4,11-13,15-37H,5-7H2,1-2H3/t11-,12-,13-,15-,16-,17-,18+,19+,20+,21-,22-,23-,24-,25-,26-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](Oc4cc(OC)c(c(c4)OC)O)[C@@H]([C@H]([C@@H]3O)O)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
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
NPO33268 wheat NA NA NA wheat germ PMID[19284743]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0.8 10377219

  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 NPC208769 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
0.9919 High Similarity NPC287780
0.9839 High Similarity NPC60756
0.9762 High Similarity NPC60982
0.9675 High Similarity NPC189589
0.9675 High Similarity NPC469622
0.9597 High Similarity NPC37074
0.9516 High Similarity NPC298845
0.944 High Similarity NPC469621
0.9431 High Similarity NPC192810
0.9431 High Similarity NPC217854
0.9365 High Similarity NPC247146
0.9355 High Similarity NPC25817
0.9355 High Similarity NPC221090
0.935 High Similarity NPC152722
0.9187 High Similarity NPC276195
0.9113 High Similarity NPC57751
0.8906 High Similarity NPC171533
0.879 High Similarity NPC228907
0.871 High Similarity NPC9248
0.8529 High Similarity NPC164857
0.8468 Intermediate Similarity NPC142319
0.8456 Intermediate Similarity NPC470236
0.8438 Intermediate Similarity NPC205850
0.8425 Intermediate Similarity NPC214289
0.8406 Intermediate Similarity NPC212770
0.8406 Intermediate Similarity NPC98777
0.8394 Intermediate Similarity NPC104167
0.8357 Intermediate Similarity NPC469559
0.8333 Intermediate Similarity NPC59324
0.8333 Intermediate Similarity NPC65530
0.8333 Intermediate Similarity NPC110677
0.8322 Intermediate Similarity NPC227902
0.831 Intermediate Similarity NPC277867
0.831 Intermediate Similarity NPC161700
0.8309 Intermediate Similarity NPC132895
0.8309 Intermediate Similarity NPC49074
0.8308 Intermediate Similarity NPC228875
0.8308 Intermediate Similarity NPC126216
0.8308 Intermediate Similarity NPC105147
0.8298 Intermediate Similarity NPC252169
0.8286 Intermediate Similarity NPC273932
0.8286 Intermediate Similarity NPC89686
0.8286 Intermediate Similarity NPC257095
0.8268 Intermediate Similarity NPC151617
0.8268 Intermediate Similarity NPC76915
0.8264 Intermediate Similarity NPC280945
0.8261 Intermediate Similarity NPC40664
0.8261 Intermediate Similarity NPC197723
0.8261 Intermediate Similarity NPC3293
0.8261 Intermediate Similarity NPC138350
0.8261 Intermediate Similarity NPC165482
0.8261 Intermediate Similarity NPC242028
0.8261 Intermediate Similarity NPC203230
0.8252 Intermediate Similarity NPC125755
0.8248 Intermediate Similarity NPC251981
0.8248 Intermediate Similarity NPC87696
0.8248 Intermediate Similarity NPC48863
0.8248 Intermediate Similarity NPC107478
0.8248 Intermediate Similarity NPC13745
0.8235 Intermediate Similarity NPC162093
0.8235 Intermediate Similarity NPC470270
0.8235 Intermediate Similarity NPC299144
0.8227 Intermediate Similarity NPC189115
0.8227 Intermediate Similarity NPC475084
0.8219 Intermediate Similarity NPC473621
0.8201 Intermediate Similarity NPC195196
0.8194 Intermediate Similarity NPC15538
0.8194 Intermediate Similarity NPC473480
0.8188 Intermediate Similarity NPC238243
0.8182 Intermediate Similarity NPC475096
0.8175 Intermediate Similarity NPC69513
0.8175 Intermediate Similarity NPC215833
0.8169 Intermediate Similarity NPC37793
0.8156 Intermediate Similarity NPC469661
0.8138 Intermediate Similarity NPC175976
0.8138 Intermediate Similarity NPC478237
0.812 Intermediate Similarity NPC12308
0.8116 Intermediate Similarity NPC188555
0.8116 Intermediate Similarity NPC130496
0.8116 Intermediate Similarity NPC35731
0.8112 Intermediate Similarity NPC225445
0.8112 Intermediate Similarity NPC168579
0.8112 Intermediate Similarity NPC76176
0.8112 Intermediate Similarity NPC138227
0.8112 Intermediate Similarity NPC25292
0.8112 Intermediate Similarity NPC469313
0.8112 Intermediate Similarity NPC473045
0.8099 Intermediate Similarity NPC5262
0.8099 Intermediate Similarity NPC472714
0.8088 Intermediate Similarity NPC262606
0.8085 Intermediate Similarity NPC106944
0.8071 Intermediate Similarity NPC138738
0.8071 Intermediate Similarity NPC470413
0.8071 Intermediate Similarity NPC262328
0.8071 Intermediate Similarity NPC87777
0.8069 Intermediate Similarity NPC39657
0.8043 Intermediate Similarity NPC115022
0.8043 Intermediate Similarity NPC294166
0.8042 Intermediate Similarity NPC473044
0.8042 Intermediate Similarity NPC116922
0.8029 Intermediate Similarity NPC166168
0.8015 Intermediate Similarity NPC218003
0.8015 Intermediate Similarity NPC248355
0.8015 Intermediate Similarity NPC307110
0.8014 Intermediate Similarity NPC130449
0.8014 Intermediate Similarity NPC248132
0.8 Intermediate Similarity NPC99515
0.8 Intermediate Similarity NPC476865
0.8 Intermediate Similarity NPC140750
0.8 Intermediate Similarity NPC190714
0.7987 Intermediate Similarity NPC78809
0.7986 Intermediate Similarity NPC472713
0.7986 Intermediate Similarity NPC187774
0.7986 Intermediate Similarity NPC473046
0.7986 Intermediate Similarity NPC472712
0.7986 Intermediate Similarity NPC118385
0.7973 Intermediate Similarity NPC213197
0.7971 Intermediate Similarity NPC165686
0.7971 Intermediate Similarity NPC26080
0.7971 Intermediate Similarity NPC85799
0.7971 Intermediate Similarity NPC303422
0.7967 Intermediate Similarity NPC232654
0.7959 Intermediate Similarity NPC55158
0.7959 Intermediate Similarity NPC106138
0.7959 Intermediate Similarity NPC286235
0.7959 Intermediate Similarity NPC35877
0.7959 Intermediate Similarity NPC95392
0.7959 Intermediate Similarity NPC51328
0.7959 Intermediate Similarity NPC55715
0.7956 Intermediate Similarity NPC470079
0.7943 Intermediate Similarity NPC304152
0.7941 Intermediate Similarity NPC302378
0.7931 Intermediate Similarity NPC476868
0.7931 Intermediate Similarity NPC476866
0.7931 Intermediate Similarity NPC476869
0.7931 Intermediate Similarity NPC476864
0.7926 Intermediate Similarity NPC233559
0.7917 Intermediate Similarity NPC113680
0.7917 Intermediate Similarity NPC278961
0.7908 Intermediate Similarity NPC100936
0.7908 Intermediate Similarity NPC1253
0.7905 Intermediate Similarity NPC472709
0.7905 Intermediate Similarity NPC472710
0.7905 Intermediate Similarity NPC114740
0.7903 Intermediate Similarity NPC124712
0.7899 Intermediate Similarity NPC9912
0.7899 Intermediate Similarity NPC65942
0.7899 Intermediate Similarity NPC473412
0.7899 Intermediate Similarity NPC121376
0.7899 Intermediate Similarity NPC248307
0.7899 Intermediate Similarity NPC469698
0.7883 Intermediate Similarity NPC166040
0.7872 Intermediate Similarity NPC469383
0.7872 Intermediate Similarity NPC52277
0.7872 Intermediate Similarity NPC199459
0.7872 Intermediate Similarity NPC177035
0.7867 Intermediate Similarity NPC246893
0.7862 Intermediate Similarity NPC297342
0.7862 Intermediate Similarity NPC177597
0.7862 Intermediate Similarity NPC476867
0.7857 Intermediate Similarity NPC310854
0.7857 Intermediate Similarity NPC170694
0.7857 Intermediate Similarity NPC247871
0.7857 Intermediate Similarity NPC187194
0.7847 Intermediate Similarity NPC84207
0.7847 Intermediate Similarity NPC128337
0.7847 Intermediate Similarity NPC5253
0.7847 Intermediate Similarity NPC139976
0.7847 Intermediate Similarity NPC49542
0.7847 Intermediate Similarity NPC230718
0.7842 Intermediate Similarity NPC252833
0.7838 Intermediate Similarity NPC313334
0.7838 Intermediate Similarity NPC283839
0.7838 Intermediate Similarity NPC90896
0.7838 Intermediate Similarity NPC206264
0.7838 Intermediate Similarity NPC212670
0.7832 Intermediate Similarity NPC210478
0.7832 Intermediate Similarity NPC202700
0.7826 Intermediate Similarity NPC80600
0.7826 Intermediate Similarity NPC472024
0.7817 Intermediate Similarity NPC124149
0.781 Intermediate Similarity NPC40377
0.781 Intermediate Similarity NPC198487
0.7808 Intermediate Similarity NPC307466
0.7801 Intermediate Similarity NPC185778
0.78 Intermediate Similarity NPC472612
0.78 Intermediate Similarity NPC289967
0.78 Intermediate Similarity NPC472611
0.78 Intermediate Similarity NPC21902
0.7793 Intermediate Similarity NPC46092
0.7793 Intermediate Similarity NPC472451
0.7793 Intermediate Similarity NPC185307
0.7793 Intermediate Similarity NPC470950
0.7786 Intermediate Similarity NPC6836
0.7786 Intermediate Similarity NPC25821
0.7785 Intermediate Similarity NPC225815
0.7785 Intermediate Similarity NPC260781
0.7785 Intermediate Similarity NPC218041
0.7785 Intermediate Similarity NPC238140
0.7785 Intermediate Similarity NPC469707

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC208769 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
0.7838 Intermediate Similarity NPD1653 Approved
0.7687 Intermediate Similarity NPD1091 Approved
0.75 Intermediate Similarity NPD291 Approved
0.7407 Intermediate Similarity NPD7472 Approved
0.7407 Intermediate Similarity NPD7074 Phase 3
0.7376 Intermediate Similarity NPD3027 Phase 3
0.7364 Intermediate Similarity NPD556 Approved
0.7346 Intermediate Similarity NPD7054 Approved
0.7343 Intermediate Similarity NPD1613 Approved
0.7343 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3454 Phase 3
0.7279 Intermediate Similarity NPD7266 Discontinued
0.7212 Intermediate Similarity NPD7251 Discontinued
0.7178 Intermediate Similarity NPD7228 Approved
0.7169 Intermediate Similarity NPD7808 Phase 3
0.7152 Intermediate Similarity NPD6797 Phase 2
0.7113 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6674 Discontinued
0.7066 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD9296 Approved
0.7007 Intermediate Similarity NPD7534 Approved
0.7007 Intermediate Similarity NPD7533 Approved
0.6944 Remote Similarity NPD3537 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3818 Discontinued
0.6852 Remote Similarity NPD6234 Discontinued
0.6828 Remote Similarity NPD4908 Phase 1
0.6826 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6805 Remote Similarity NPD7240 Approved
0.6774 Remote Similarity NPD9365 Approved
0.675 Remote Similarity NPD37 Approved
0.6747 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6747 Remote Similarity NPD6166 Phase 2
0.6735 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6728 Remote Similarity NPD4966 Approved
0.6728 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6728 Remote Similarity NPD4965 Approved
0.6728 Remote Similarity NPD4967 Phase 2
0.6714 Remote Similarity NPD1357 Approved
0.6708 Remote Similarity NPD8455 Phase 2
0.669 Remote Similarity NPD3705 Approved
0.6646 Remote Similarity NPD1934 Approved
0.6643 Remote Similarity NPD1548 Phase 1
0.6623 Remote Similarity NPD1652 Phase 2
0.6613 Remote Similarity NPD9295 Approved
0.6605 Remote Similarity NPD2801 Approved
0.6597 Remote Similarity NPD2983 Phase 2
0.6597 Remote Similarity NPD4749 Approved
0.6597 Remote Similarity NPD2982 Phase 2
0.6573 Remote Similarity NPD1610 Phase 2
0.6569 Remote Similarity NPD7843 Approved
0.6567 Remote Similarity NPD290 Approved
0.6566 Remote Similarity NPD7199 Phase 2
0.655 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6532 Remote Similarity NPD9094 Approved
0.6528 Remote Similarity NPD2981 Phase 2
0.6512 Remote Similarity NPD7685 Pre-registration
0.6503 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6497 Remote Similarity NPD5058 Phase 3
0.6494 Remote Similarity NPD521 Clinical (unspecified phase)
0.6493 Remote Similarity NPD968 Approved
0.649 Remote Similarity NPD5124 Phase 1
0.649 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6444 Remote Similarity NPD9552 Approved
0.6442 Remote Similarity NPD3384 Approved
0.6442 Remote Similarity NPD3382 Approved
0.6442 Remote Similarity NPD3383 Approved
0.6433 Remote Similarity NPD5844 Phase 1
0.6429 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6671 Approved
0.6429 Remote Similarity NPD7157 Approved
0.6429 Remote Similarity NPD191 Approved
0.6419 Remote Similarity NPD2861 Phase 2
0.6419 Remote Similarity NPD3018 Phase 2
0.6416 Remote Similarity NPD6559 Discontinued
0.6405 Remote Similarity NPD7097 Phase 1
0.64 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6397 Remote Similarity NPD2684 Approved
0.6395 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6391 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6384 Remote Similarity NPD6841 Approved
0.6384 Remote Similarity NPD6843 Phase 3
0.6384 Remote Similarity NPD6842 Approved
0.6377 Remote Similarity NPD228 Approved
0.6364 Remote Similarity NPD1798 Approved
0.6364 Remote Similarity NPD1797 Approved
0.6364 Remote Similarity NPD5402 Approved
0.6358 Remote Similarity NPD6233 Phase 2
0.6345 Remote Similarity NPD422 Phase 1
0.6335 Remote Similarity NPD5403 Approved
0.6333 Remote Similarity NPD4625 Phase 3
0.6331 Remote Similarity NPD3787 Discontinued
0.6319 Remote Similarity NPD4380 Phase 2
0.6303 Remote Similarity NPD1465 Phase 2
0.6299 Remote Similarity NPD4538 Approved
0.6299 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6299 Remote Similarity NPD4536 Approved
0.629 Remote Similarity NPD7680 Approved
0.6287 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6287 Remote Similarity NPD7075 Discontinued
0.6271 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6265 Remote Similarity NPD3817 Phase 2
0.6265 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6259 Remote Similarity NPD4379 Clinical (unspecified phase)
0.625 Remote Similarity NPD7212 Phase 2
0.625 Remote Similarity NPD8312 Approved
0.625 Remote Similarity NPD7213 Phase 3
0.625 Remote Similarity NPD8313 Approved
0.6242 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6241 Remote Similarity NPD9299 Approved
0.6234 Remote Similarity NPD2224 Approved
0.6234 Remote Similarity NPD2223 Approved
0.6228 Remote Similarity NPD3882 Suspended
0.6226 Remote Similarity NPD6190 Approved
0.6224 Remote Similarity NPD1103 Approved
0.6224 Remote Similarity NPD1102 Approved
0.6222 Remote Similarity NPD9501 Approved
0.622 Remote Similarity NPD4675 Approved
0.622 Remote Similarity NPD4678 Approved
0.6216 Remote Similarity NPD8651 Approved
0.6213 Remote Similarity NPD5494 Approved
0.6211 Remote Similarity NPD5401 Approved
0.6211 Remote Similarity NPD7447 Phase 1
0.6209 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6209 Remote Similarity NPD3620 Phase 2
0.6205 Remote Similarity NPD2977 Approved
0.6205 Remote Similarity NPD2978 Approved
0.62 Remote Similarity NPD2250 Discontinued
0.62 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6187 Remote Similarity NPD2671 Approved
0.6187 Remote Similarity NPD2673 Approved
0.6185 Remote Similarity NPD3751 Discontinued
0.6169 Remote Similarity NPD230 Phase 1
0.6169 Remote Similarity NPD1933 Approved
0.6164 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6159 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5588 Approved
0.6154 Remote Similarity NPD5960 Phase 3
0.6149 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6149 Remote Similarity NPD1511 Approved
0.6135 Remote Similarity NPD2122 Discontinued
0.6135 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6133 Remote Similarity NPD5647 Approved
0.6129 Remote Similarity NPD6653 Approved
0.6124 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6115 Remote Similarity NPD6099 Approved
0.6115 Remote Similarity NPD6100 Approved
0.6108 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6104 Remote Similarity NPD1558 Phase 1
0.6102 Remote Similarity NPD7549 Discontinued
0.6101 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6099 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6098 Remote Similarity NPD9093 Approved
0.6096 Remote Similarity NPD5125 Phase 3
0.6096 Remote Similarity NPD5126 Approved
0.609 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6084 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6076 Remote Similarity NPD1375 Discontinued
0.6076 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6076 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6074 Remote Similarity NPD1512 Approved
0.6071 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6067 Remote Similarity NPD6362 Approved
0.6062 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6054 Remote Similarity NPD915 Approved
0.6054 Remote Similarity NPD3496 Discontinued
0.6051 Remote Similarity NPD7033 Discontinued
0.6049 Remote Similarity NPD1774 Approved
0.6048 Remote Similarity NPD9089 Approved
0.6048 Remote Similarity NPD6801 Discontinued
0.604 Remote Similarity NPD3685 Discontinued
0.6038 Remote Similarity NPD1549 Phase 2
0.6034 Remote Similarity NPD8054 Approved
0.6034 Remote Similarity NPD8053 Approved
0.6025 Remote Similarity NPD2219 Phase 1
0.6022 Remote Similarity NPD7906 Approved
0.6013 Remote Similarity NPD3180 Approved
0.6013 Remote Similarity NPD3179 Approved
0.6012 Remote Similarity NPD5773 Approved
0.6012 Remote Similarity NPD5772 Approved
0.6 Remote Similarity NPD3686 Approved
0.6 Remote Similarity NPD6696 Suspended
0.6 Remote Similarity NPD3687 Approved
0.6 Remote Similarity NPD5177 Phase 3
0.6 Remote Similarity NPD3225 Approved
0.5989 Remote Similarity NPD8397 Clinical (unspecified phase)
0.5989 Remote Similarity NPD7007 Discovery
0.5988 Remote Similarity NPD5756 Phase 2
0.5988 Remote Similarity NPD7411 Suspended
0.5986 Remote Similarity NPD6516 Phase 2
0.5986 Remote Similarity NPD5846 Approved
0.5976 Remote Similarity NPD1940 Clinical (unspecified phase)
0.5975 Remote Similarity NPD3540 Phase 1
0.5975 Remote Similarity NPD5763 Approved
0.5975 Remote Similarity NPD5762 Approved
0.5974 Remote Similarity NPD6798 Discontinued

Structure

External Identifiers

PubChem CID   42638456
ChEMBL   CHEMBL541965
ZINC  

Physicochemical Properties

Molecular Weight:  656.22
ALogP:  -6.2649
MLogP:  2.23
XLogP:  -4.2
# Rotatable Bonds:  24
Polar Surface Area:  296.37
# H-Bond Aceptor:  15
# H-Bond Donor:  11
# Rings:  4
# Heavy Atoms:  45

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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