Natural Product: NPC238216

Natural Product ID:  NPC238216
Common Name:   Ramonanin A
IUPAC Name:   2-methoxy-4-[(1R,2'R,3S,5'S,6R)-1,3,5'-tris(4-hydroxy-3-methoxyphenyl)-3'-methylidenespiro[3,4,5,7-tetrahydro-1H-2-benzofuran-6,4'-oxolane]-2'-yl]phenol
Synonyms:   Ramonanin A
Molecular Formula:   C40H40O10
Standard InCHIKey:  GVLSMMAPMUCRRO-OQZGELFMSA-N
Standard InCHI:  InChI=1S/C40H40O10/c1-21-36(22-6-10-28(41)32(16-22)45-2)50-39(25-9-13-31(44)35(19-25)48-5)40(21)15-14-26-27(20-40)38(24-8-12-30(43)34(18-24)47-4)49-37(26)23-7-11-29(42)33(17-23)46-3/h6-13,16-19,36-39,41-44H,1,14-15,20H2,2-5H3/t36-,37-,38+,39-,40+/m0/s1
Canonical SMILES:  COc1cc(ccc1O)[C@H]1O[C@H](C2=C1C[C@@]1(CC2)[C@@H](O[C@@H](C1=C)c1ccc(c(c1)OC)O)c1ccc(c(c1)OC)O)c1ccc(c(c1)OC)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
NPO1570 Guaiacum officinale Species Zygophyllaceae Eukaryota heartwood PMID[21391655]
NPO30469 Guaiacum sanctum Species Zygophyllaceae Eukaryota heartwood PMID[21391655]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 18000 nM 21391655
NPT82 Cell Line MDA-MB-231 Homo sapiens Activity < 4 % 21391655

  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 NPC238216 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
1.0 High Similarity NPC185388
1.0 High Similarity NPC84684
1.0 High Similarity NPC208994
0.9078 High Similarity NPC470372
0.8936 High Similarity NPC260842
0.8794 High Similarity NPC77861
0.8786 High Similarity NPC471942
0.8776 High Similarity NPC304048
0.8776 High Similarity NPC226153
0.8723 High Similarity NPC93783
0.8716 High Similarity NPC473266
0.8716 High Similarity NPC470826
0.8716 High Similarity NPC470098
0.8643 High Similarity NPC4940
0.8639 High Similarity NPC241846
0.8639 High Similarity NPC93610
0.8623 High Similarity NPC45774
0.8623 High Similarity NPC282703
0.8623 High Similarity NPC11258
0.8623 High Similarity NPC21867
0.8623 High Similarity NPC129570
0.8623 High Similarity NPC128208
0.8623 High Similarity NPC184733
0.8611 High Similarity NPC55793
0.8611 High Similarity NPC262189
0.86 High Similarity NPC321972
0.86 High Similarity NPC329343
0.86 High Similarity NPC324517
0.8571 High Similarity NPC158079
0.8571 High Similarity NPC228346
0.8571 High Similarity NPC161557
0.8571 High Similarity NPC27843
0.8571 High Similarity NPC115207
0.8571 High Similarity NPC7171
0.8571 High Similarity NPC40432
0.8553 High Similarity NPC157333
0.8533 High Similarity NPC477612
0.8523 High Similarity NPC281549
0.8511 High Similarity NPC207400
0.8511 High Similarity NPC181049
0.8503 High Similarity NPC470097
0.8503 High Similarity NPC471415
0.8503 High Similarity NPC114119
0.85 High Similarity NPC257582
0.85 High Similarity NPC242807
0.85 High Similarity NPC241522
0.85 High Similarity NPC174495
0.85 High Similarity NPC153739
0.85 High Similarity NPC145305
0.85 High Similarity NPC42300
0.85 High Similarity NPC92164
0.85 High Similarity NPC187998
0.85 High Similarity NPC77040
0.85 High Similarity NPC64201
0.8489 Intermediate Similarity NPC474178
0.8489 Intermediate Similarity NPC245826
0.8489 Intermediate Similarity NPC252307
0.8487 Intermediate Similarity NPC115203
0.8483 Intermediate Similarity NPC22317
0.8478 Intermediate Similarity NPC17837
0.8478 Intermediate Similarity NPC304630
0.8472 Intermediate Similarity NPC474390
0.8456 Intermediate Similarity NPC328567
0.8456 Intermediate Similarity NPC99183
0.8456 Intermediate Similarity NPC327412
0.8456 Intermediate Similarity NPC320671
0.8456 Intermediate Similarity NPC262297
0.8456 Intermediate Similarity NPC320970
0.8446 Intermediate Similarity NPC473909
0.8446 Intermediate Similarity NPC274960
0.8446 Intermediate Similarity NPC143120
0.844 Intermediate Similarity NPC277804
0.8429 Intermediate Similarity NPC475875
0.84 Intermediate Similarity NPC227516
0.84 Intermediate Similarity NPC20757
0.8394 Intermediate Similarity NPC471693
0.8392 Intermediate Similarity NPC193026
0.8392 Intermediate Similarity NPC187616
0.8392 Intermediate Similarity NPC49603
0.8389 Intermediate Similarity NPC324492
0.8389 Intermediate Similarity NPC260397
0.8389 Intermediate Similarity NPC317053
0.8378 Intermediate Similarity NPC28440
0.8378 Intermediate Similarity NPC171932
0.8377 Intermediate Similarity NPC202104
0.8367 Intermediate Similarity NPC472087
0.8367 Intermediate Similarity NPC472088
0.8367 Intermediate Similarity NPC302506
0.8367 Intermediate Similarity NPC67467
0.8357 Intermediate Similarity NPC470084
0.8356 Intermediate Similarity NPC106055
0.8356 Intermediate Similarity NPC266197
0.8356 Intermediate Similarity NPC472092
0.8356 Intermediate Similarity NPC472091
0.8356 Intermediate Similarity NPC291101
0.8356 Intermediate Similarity NPC472090
0.8356 Intermediate Similarity NPC110699
0.8345 Intermediate Similarity NPC58607
0.8345 Intermediate Similarity NPC178284
0.8345 Intermediate Similarity NPC191037
0.8344 Intermediate Similarity NPC321657
0.8344 Intermediate Similarity NPC318373
0.8344 Intermediate Similarity NPC211561
0.8333 Intermediate Similarity NPC141765
0.8333 Intermediate Similarity NPC99572
0.8333 Intermediate Similarity NPC126409
0.8333 Intermediate Similarity NPC24490
0.8333 Intermediate Similarity NPC135777
0.8333 Intermediate Similarity NPC142547
0.8333 Intermediate Similarity NPC34103
0.8333 Intermediate Similarity NPC165155
0.8322 Intermediate Similarity NPC272619
0.8322 Intermediate Similarity NPC158331
0.8322 Intermediate Similarity NPC286245
0.8322 Intermediate Similarity NPC307205
0.8322 Intermediate Similarity NPC181615
0.8311 Intermediate Similarity NPC477898
0.831 Intermediate Similarity NPC470096
0.831 Intermediate Similarity NPC470095
0.8301 Intermediate Similarity NPC476391
0.8299 Intermediate Similarity NPC472089
0.8299 Intermediate Similarity NPC472711
0.8298 Intermediate Similarity NPC86030
0.8298 Intermediate Similarity NPC5851
0.8289 Intermediate Similarity NPC145527
0.8289 Intermediate Similarity NPC470619
0.8289 Intermediate Similarity NPC470618
0.8289 Intermediate Similarity NPC208785
0.8288 Intermediate Similarity NPC22517
0.8286 Intermediate Similarity NPC41706
0.8286 Intermediate Similarity NPC118533
0.8286 Intermediate Similarity NPC111247
0.8286 Intermediate Similarity NPC183181
0.8286 Intermediate Similarity NPC118787
0.8286 Intermediate Similarity NPC147821
0.8286 Intermediate Similarity NPC165045
0.8286 Intermediate Similarity NPC163332
0.8286 Intermediate Similarity NPC292056
0.8286 Intermediate Similarity NPC319625
0.8278 Intermediate Similarity NPC102934
0.8278 Intermediate Similarity NPC252402
0.8276 Intermediate Similarity NPC177160
0.8276 Intermediate Similarity NPC52277
0.8276 Intermediate Similarity NPC68292
0.8276 Intermediate Similarity NPC29799
0.8276 Intermediate Similarity NPC209985
0.8276 Intermediate Similarity NPC263367
0.8276 Intermediate Similarity NPC10737
0.8276 Intermediate Similarity NPC177035
0.8276 Intermediate Similarity NPC477939
0.8276 Intermediate Similarity NPC199459
0.8276 Intermediate Similarity NPC471988
0.8276 Intermediate Similarity NPC156502
0.8276 Intermediate Similarity NPC54743
0.8273 Intermediate Similarity NPC194519
0.8273 Intermediate Similarity NPC148627
0.8269 Intermediate Similarity NPC125495
0.8269 Intermediate Similarity NPC470827
0.8267 Intermediate Similarity NPC126291
0.8264 Intermediate Similarity NPC311256
0.8264 Intermediate Similarity NPC244983
0.8264 Intermediate Similarity NPC287745
0.8264 Intermediate Similarity NPC326095
0.8264 Intermediate Similarity NPC67247
0.8261 Intermediate Similarity NPC317769
0.8261 Intermediate Similarity NPC31344
0.8255 Intermediate Similarity NPC304894
0.8255 Intermediate Similarity NPC471065
0.8255 Intermediate Similarity NPC84181
0.8255 Intermediate Similarity NPC15659
0.8255 Intermediate Similarity NPC253015
0.8255 Intermediate Similarity NPC179521
0.8252 Intermediate Similarity NPC474134
0.8252 Intermediate Similarity NPC201587
0.8252 Intermediate Similarity NPC253105
0.8252 Intermediate Similarity NPC204215
0.8252 Intermediate Similarity NPC303144
0.8252 Intermediate Similarity NPC471505
0.8252 Intermediate Similarity NPC175067
0.8252 Intermediate Similarity NPC131128
0.8243 Intermediate Similarity NPC476356
0.8239 Intermediate Similarity NPC143483
0.8235 Intermediate Similarity NPC125823
0.8235 Intermediate Similarity NPC143480
0.8235 Intermediate Similarity NPC7145
0.8235 Intermediate Similarity NPC85192
0.8228 Intermediate Similarity NPC7191
0.8228 Intermediate Similarity NPC149873
0.8227 Intermediate Similarity NPC307050
0.8227 Intermediate Similarity NPC277458
0.8227 Intermediate Similarity NPC72529
0.8224 Intermediate Similarity NPC475250
0.8224 Intermediate Similarity NPC476969
0.8219 Intermediate Similarity NPC281780
0.8217 Intermediate Similarity NPC470828
0.8214 Intermediate Similarity NPC206882
0.8214 Intermediate Similarity NPC156854
0.8214 Intermediate Similarity NPC134431
0.8212 Intermediate Similarity NPC202742
0.8212 Intermediate Similarity NPC70409

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC238216 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
0.8169 Intermediate Similarity NPD3027 Phase 3
0.8 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3620 Phase 2
0.7755 Intermediate Similarity NPD1613 Approved
0.7755 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD6234 Discontinued
0.7651 Intermediate Similarity NPD7228 Approved
0.7613 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD5735 Approved
0.7574 Intermediate Similarity NPD228 Approved
0.7534 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD8166 Discontinued
0.7471 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD5283 Phase 1
0.7455 Intermediate Similarity NPD8127 Discontinued
0.7451 Intermediate Similarity NPD7266 Discontinued
0.7448 Intermediate Similarity NPD8651 Approved
0.7423 Intermediate Similarity NPD4965 Approved
0.7423 Intermediate Similarity NPD4967 Phase 2
0.7423 Intermediate Similarity NPD4966 Approved
0.7415 Intermediate Similarity NPD2861 Phase 2
0.7399 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD1357 Approved
0.7383 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4908 Phase 1
0.7361 Intermediate Similarity NPD3705 Approved
0.7357 Intermediate Similarity NPD7157 Approved
0.7355 Intermediate Similarity NPD6674 Discontinued
0.7346 Intermediate Similarity NPD37 Approved
0.7342 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6166 Phase 2
0.7321 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD7906 Approved
0.7283 Intermediate Similarity NPD7312 Approved
0.7283 Intermediate Similarity NPD7310 Approved
0.7283 Intermediate Similarity NPD7311 Approved
0.7283 Intermediate Similarity NPD7313 Approved
0.7273 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7833 Phase 2
0.7273 Intermediate Similarity NPD7831 Phase 2
0.7266 Intermediate Similarity NPD7843 Approved
0.726 Intermediate Similarity NPD5327 Phase 3
0.7241 Intermediate Similarity NPD7309 Approved
0.7237 Intermediate Similarity NPD3657 Discovery
0.7219 Intermediate Similarity NPD27 Approved
0.7219 Intermediate Similarity NPD2489 Approved
0.7212 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7095 Approved
0.7195 Intermediate Similarity NPD8455 Phase 2
0.719 Intermediate Similarity NPD6353 Approved
0.7174 Intermediate Similarity NPD3022 Approved
0.7174 Intermediate Similarity NPD3021 Approved
0.7171 Intermediate Similarity NPD1558 Phase 1
0.7168 Intermediate Similarity NPD7240 Approved
0.7162 Intermediate Similarity NPD3094 Phase 2
0.716 Intermediate Similarity NPD2969 Approved
0.716 Intermediate Similarity NPD2970 Approved
0.7152 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2982 Phase 2
0.7143 Intermediate Similarity NPD7097 Phase 1
0.7143 Intermediate Similarity NPD2983 Phase 2
0.7134 Intermediate Similarity NPD4236 Phase 3
0.7134 Intermediate Similarity NPD4237 Approved
0.7134 Intermediate Similarity NPD1934 Approved
0.7134 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD3092 Approved
0.7114 Intermediate Similarity NPD6584 Phase 3
0.711 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD3051 Approved
0.7097 Intermediate Similarity NPD5588 Approved
0.7095 Intermediate Similarity NPD6696 Suspended
0.7091 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD4110 Phase 3
0.7075 Intermediate Similarity NPD2981 Phase 2
0.707 Intermediate Similarity NPD7037 Approved
0.7067 Intermediate Similarity NPD3018 Phase 2
0.7059 Intermediate Similarity NPD4060 Phase 1
0.7059 Intermediate Similarity NPD4140 Approved
0.7052 Intermediate Similarity NPD7074 Phase 3
0.7041 Intermediate Similarity NPD7199 Phase 2
0.7032 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD4536 Approved
0.7032 Intermediate Similarity NPD4538 Approved
0.7025 Intermediate Similarity NPD3060 Approved
0.7012 Intermediate Similarity NPD7028 Phase 2
0.7006 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4624 Approved
0.7 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5058 Phase 3
0.6994 Remote Similarity NPD7054 Approved
0.6989 Remote Similarity NPD7680 Approved
0.6989 Remote Similarity NPD4578 Approved
0.6989 Remote Similarity NPD4577 Approved
0.6988 Remote Similarity NPD2977 Approved
0.6988 Remote Similarity NPD2978 Approved
0.6986 Remote Similarity NPD5846 Approved
0.6986 Remote Similarity NPD6516 Phase 2
0.6981 Remote Similarity NPD4628 Phase 3
0.6981 Remote Similarity NPD6331 Phase 2
0.6978 Remote Similarity NPD2684 Approved
0.6966 Remote Similarity NPD4663 Approved
0.6966 Remote Similarity NPD3091 Approved
0.6959 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7472 Approved
0.6949 Remote Similarity NPD8054 Approved
0.6949 Remote Similarity NPD8053 Approved
0.6937 Remote Similarity NPD6190 Approved
0.6936 Remote Similarity NPD3818 Discontinued
0.6928 Remote Similarity NPD6798 Discontinued
0.6928 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6913 Remote Similarity NPD6583 Phase 3
0.6913 Remote Similarity NPD6582 Phase 2
0.6913 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6905 Remote Similarity NPD3882 Suspended
0.6901 Remote Similarity NPD6232 Discontinued
0.6899 Remote Similarity NPD5763 Approved
0.6899 Remote Similarity NPD1375 Discontinued
0.6899 Remote Similarity NPD5762 Approved
0.6897 Remote Similarity NPD5844 Phase 1
0.6897 Remote Similarity NPD5536 Phase 2
0.6892 Remote Similarity NPD1610 Phase 2
0.689 Remote Similarity NPD1653 Approved
0.6886 Remote Similarity NPD2801 Approved
0.6883 Remote Similarity NPD6233 Phase 2
0.6879 Remote Similarity NPD5960 Phase 3
0.6879 Remote Similarity NPD7473 Discontinued
0.6875 Remote Similarity NPD7685 Pre-registration
0.6875 Remote Similarity NPD6671 Approved
0.6871 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6865 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4625 Phase 3
0.6854 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6849 Remote Similarity NPD1548 Phase 1
0.6848 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6845 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6845 Remote Similarity NPD2560 Approved
0.6845 Remote Similarity NPD2563 Approved
0.6842 Remote Similarity NPD5736 Approved
0.6842 Remote Similarity NPD6959 Discontinued
0.6839 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6836 Remote Similarity NPD7808 Phase 3
0.6835 Remote Similarity NPD2161 Phase 2
0.6829 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6826 Remote Similarity NPD5722 Discontinued
0.681 Remote Similarity NPD7447 Phase 1
0.681 Remote Similarity NPD7422 Clinical (unspecified phase)
0.681 Remote Similarity NPD7446 Clinical (unspecified phase)
0.681 Remote Similarity NPD4123 Phase 3
0.6809 Remote Similarity NPD5451 Approved
0.6807 Remote Similarity NPD4380 Phase 2
0.6805 Remote Similarity NPD7773 Phase 2
0.6802 Remote Similarity NPD6071 Discontinued
0.68 Remote Similarity NPD4749 Approved
0.6798 Remote Similarity NPD8313 Approved
0.6798 Remote Similarity NPD8312 Approved
0.6797 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6795 Remote Similarity NPD6355 Discontinued
0.679 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5773 Approved
0.6786 Remote Similarity NPD5772 Approved
0.678 Remote Similarity NPD7251 Discontinued
0.6774 Remote Similarity NPD2674 Phase 3
0.6774 Remote Similarity NPD6663 Approved
0.6768 Remote Similarity NPD6273 Approved
0.6765 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6757 Remote Similarity NPD3095 Discontinued
0.6757 Remote Similarity NPD5126 Approved
0.6757 Remote Similarity NPD5125 Phase 3
0.6752 Remote Similarity NPD4097 Suspended
0.6748 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7213 Phase 3
0.6748 Remote Similarity NPD7212 Phase 2
0.6748 Remote Similarity NPD7041 Phase 2
0.6747 Remote Similarity NPD7458 Discontinued
0.6746 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6736 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7741 Discontinued
0.6728 Remote Similarity NPD5241 Discontinued
0.6728 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6724 Remote Similarity NPD4481 Phase 3
0.6723 Remote Similarity NPD6797 Phase 2
0.6714 Remote Similarity NPD968 Approved
0.671 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6709 Remote Similarity NPD6895 Approved
0.6709 Remote Similarity NPD6896 Approved
0.6708 Remote Similarity NPD5177 Phase 3
0.6708 Remote Similarity NPD4162 Approved
0.6706 Remote Similarity NPD7768 Phase 2
0.6687 Remote Similarity NPD3687 Approved
0.6687 Remote Similarity NPD3686 Approved
0.6687 Remote Similarity NPD7124 Phase 2
0.6686 Remote Similarity NPD5494 Approved
0.6685 Remote Similarity NPD6559 Discontinued
0.6667 Remote Similarity NPD7003 Approved

Structure

External Identifiers

PubChem CID   45275140
ChEMBL   CHEMBL1782125
ZINC  

Physicochemical Properties

Molecular Weight:  680.26
ALogP:  -1.7585
MLogP:  4.76
XLogP:  3.282
# Rotatable Bonds:  16
Polar Surface Area:  136.3
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  50

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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