Natural Product: NPC478036

Natural Product ID:  NPC478036
Common Name:   Tartrolon D
IUPAC Name:  
Synonyms:   tartrolon D
Molecular Formula:   C44H68O14
Standard InCHIKey:  OHYKIDCHGZQVCM-ZMXWBCPCSA-N
Standard InCHI:  InChI=1S/C44H68O14/c1-29-21-23-37-27-35(47)25-33(45)19-15-11-8-6-10-14-18-32(4)56-42(52)40(50)44(54)30(2)22-24-38(58-44)28-36(48)26-34(46)20-16-12-7-5-9-13-17-31(3)55-41(51)39(49)43(29,53)57-37/h5-12,29-34,37-40,45-46,49-50,53-54H,13-28H2,1-4H3/b9-5-,10-6-,11-8+,12-7+/t29-,30-,31+,32+,33+,34+,37+,38+,39?,40?,43-,44-/m1/s1
Canonical SMILES:  O[C@H]1CC/C=C/C=CCC[C@H](C)OC(=O)C(O)[C@]2(O)O[C@@H](CC[C@H]2C)CC(=O)C[C@H](CC/C=C/C=CCC[C@@H](OC(=O)C([C@@]2(O[C@H](CC(=O)C1)CC[C@H]2C)O)O)C)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
NPO33541 Streptomyces sp. MDG-04-17-069 Species Streptomycetaceae Bacteria east coast of Madagascar PMID[19968258]

  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 GI50 = 790 nM 19968258
NPT82 Cell Line MDA-MB-231 Homo sapiens TGI = 3410 nM 19968258
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 = 11000 nM 19968258
NPT81 Cell Line A549 Homo sapiens GI50 = 160 nM 19968258
NPT81 Cell Line A549 Homo sapiens TGI = 1460 nM 19968258
NPT81 Cell Line A549 Homo sapiens LC50 = 8050 nM 19968258
NPT139 Cell Line HT-29 Homo sapiens GI50 = 310 nM 19968258
NPT139 Cell Line HT-29 Homo sapiens TGI = 1710 nM 19968258
NPT139 Cell Line HT-29 Homo sapiens LC50 = 8410 nM 19968258

  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 NPC478036 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 NPC478037
0.8866 High Similarity NPC478038
0.8667 High Similarity NPC201046
0.8384 Intermediate Similarity NPC470519
0.8384 Intermediate Similarity NPC231271
0.8351 Intermediate Similarity NPC469870
0.8351 Intermediate Similarity NPC469871
0.828 Intermediate Similarity NPC313670
0.8182 Intermediate Similarity NPC473596
0.8111 Intermediate Similarity NPC470313
0.8111 Intermediate Similarity NPC473500
0.8111 Intermediate Similarity NPC156089
0.8111 Intermediate Similarity NPC38295
0.8081 Intermediate Similarity NPC476611
0.8061 Intermediate Similarity NPC161855
0.8043 Intermediate Similarity NPC477993
0.8043 Intermediate Similarity NPC477994
0.8041 Intermediate Similarity NPC255410
0.802 Intermediate Similarity NPC469869
0.8 Intermediate Similarity NPC472199
0.7961 Intermediate Similarity NPC193765
0.7961 Intermediate Similarity NPC473807
0.7959 Intermediate Similarity NPC476612
0.7959 Intermediate Similarity NPC476613
0.7959 Intermediate Similarity NPC120299
0.7957 Intermediate Similarity NPC86005
0.7957 Intermediate Similarity NPC477959
0.7941 Intermediate Similarity NPC476740
0.7941 Intermediate Similarity NPC476738
0.7938 Intermediate Similarity NPC300710
0.7921 Intermediate Similarity NPC309398
0.7889 Intermediate Similarity NPC21693
0.7889 Intermediate Similarity NPC236649
0.7885 Intermediate Similarity NPC313668
0.7885 Intermediate Similarity NPC315836
0.7879 Intermediate Similarity NPC475653
0.7857 Intermediate Similarity NPC180722
0.7857 Intermediate Similarity NPC473291
0.7857 Intermediate Similarity NPC195645
0.7857 Intermediate Similarity NPC165332
0.7835 Intermediate Similarity NPC472198
0.7812 Intermediate Similarity NPC472197
0.7778 Intermediate Similarity NPC278506
0.7753 Intermediate Similarity NPC11796
0.7753 Intermediate Similarity NPC218817
0.7745 Intermediate Similarity NPC474581
0.7745 Intermediate Similarity NPC475367
0.7745 Intermediate Similarity NPC473816
0.7732 Intermediate Similarity NPC320089
0.7717 Intermediate Similarity NPC69469
0.7708 Intermediate Similarity NPC478003
0.7708 Intermediate Similarity NPC478004
0.7708 Intermediate Similarity NPC158388
0.77 Intermediate Similarity NPC187761
0.77 Intermediate Similarity NPC255592
0.77 Intermediate Similarity NPC261377
0.77 Intermediate Similarity NPC308567
0.77 Intermediate Similarity NPC83895
0.7667 Intermediate Similarity NPC263574
0.7667 Intermediate Similarity NPC469747
0.7653 Intermediate Similarity NPC5418
0.7647 Intermediate Similarity NPC313569
0.7604 Intermediate Similarity NPC118193
0.7604 Intermediate Similarity NPC256902
0.76 Intermediate Similarity NPC40812
0.7576 Intermediate Similarity NPC248574
0.757 Intermediate Similarity NPC126897
0.757 Intermediate Similarity NPC297945
0.7558 Intermediate Similarity NPC476660
0.7553 Intermediate Similarity NPC475206
0.7528 Intermediate Similarity NPC239127
0.7526 Intermediate Similarity NPC316228
0.7525 Intermediate Similarity NPC70733
0.7525 Intermediate Similarity NPC56071
0.7525 Intermediate Similarity NPC469565
0.7522 Intermediate Similarity NPC275343
0.75 Intermediate Similarity NPC469528
0.75 Intermediate Similarity NPC472748
0.75 Intermediate Similarity NPC288350
0.75 Intermediate Similarity NPC173329
0.75 Intermediate Similarity NPC469369
0.7477 Intermediate Similarity NPC93688
0.7477 Intermediate Similarity NPC472508
0.7477 Intermediate Similarity NPC109603
0.7475 Intermediate Similarity NPC71589
0.7474 Intermediate Similarity NPC475753
0.7455 Intermediate Similarity NPC473126
0.7453 Intermediate Similarity NPC472507
0.7444 Intermediate Similarity NPC110813
0.7442 Intermediate Similarity NPC473772
0.7429 Intermediate Similarity NPC472751
0.7429 Intermediate Similarity NPC472749
0.7426 Intermediate Similarity NPC266842
0.7423 Intermediate Similarity NPC97577
0.7416 Intermediate Similarity NPC255060
0.7411 Intermediate Similarity NPC314268
0.7411 Intermediate Similarity NPC477515
0.7411 Intermediate Similarity NPC313802
0.7411 Intermediate Similarity NPC67917
0.7404 Intermediate Similarity NPC472750
0.7404 Intermediate Similarity NPC4620
0.7404 Intermediate Similarity NPC472747
0.74 Intermediate Similarity NPC322188
0.74 Intermediate Similarity NPC108141
0.7391 Intermediate Similarity NPC469920
0.7391 Intermediate Similarity NPC103634
0.7383 Intermediate Similarity NPC218853
0.7379 Intermediate Similarity NPC2313
0.7379 Intermediate Similarity NPC154132
0.7379 Intermediate Similarity NPC475655
0.7379 Intermediate Similarity NPC475157
0.7379 Intermediate Similarity NPC57586
0.7379 Intermediate Similarity NPC471637
0.7368 Intermediate Similarity NPC92633
0.7368 Intermediate Similarity NPC477746
0.7368 Intermediate Similarity NPC477747
0.7363 Intermediate Similarity NPC133377
0.7356 Intermediate Similarity NPC42526
0.7347 Intermediate Similarity NPC473311
0.7339 Intermediate Similarity NPC80843
0.7339 Intermediate Similarity NPC1046
0.7333 Intermediate Similarity NPC470899
0.7333 Intermediate Similarity NPC469514
0.7333 Intermediate Similarity NPC475676
0.7333 Intermediate Similarity NPC220964
0.7327 Intermediate Similarity NPC54731
0.7326 Intermediate Similarity NPC141481
0.7326 Intermediate Similarity NPC209327
0.7326 Intermediate Similarity NPC324981
0.7326 Intermediate Similarity NPC273508
0.7326 Intermediate Similarity NPC48218
0.7326 Intermediate Similarity NPC473559
0.7321 Intermediate Similarity NPC13710
0.7308 Intermediate Similarity NPC472754
0.7304 Intermediate Similarity NPC314629
0.7303 Intermediate Similarity NPC474321
0.729 Intermediate Similarity NPC327286
0.729 Intermediate Similarity NPC169888
0.729 Intermediate Similarity NPC55972
0.7282 Intermediate Similarity NPC324667
0.7281 Intermediate Similarity NPC469812
0.7281 Intermediate Similarity NPC170880
0.7281 Intermediate Similarity NPC183353
0.7273 Intermediate Similarity NPC73455
0.7273 Intermediate Similarity NPC470379
0.7273 Intermediate Similarity NPC475208
0.7273 Intermediate Similarity NPC238935
0.7273 Intermediate Similarity NPC200944
0.7273 Intermediate Similarity NPC320118
0.7273 Intermediate Similarity NPC36491
0.7273 Intermediate Similarity NPC470373
0.7257 Intermediate Similarity NPC11551
0.7257 Intermediate Similarity NPC472949
0.7257 Intermediate Similarity NPC39211
0.7257 Intermediate Similarity NPC475171
0.7257 Intermediate Similarity NPC6377
0.7257 Intermediate Similarity NPC180550
0.7257 Intermediate Similarity NPC208381
0.7257 Intermediate Similarity NPC309780
0.7257 Intermediate Similarity NPC214484
0.7257 Intermediate Similarity NPC114441
0.7257 Intermediate Similarity NPC469945
0.7257 Intermediate Similarity NPC157868
0.7257 Intermediate Similarity NPC35405
0.7257 Intermediate Similarity NPC473884
0.7255 Intermediate Similarity NPC472290
0.7255 Intermediate Similarity NPC475438
0.7255 Intermediate Similarity NPC475332
0.7255 Intermediate Similarity NPC124246
0.7253 Intermediate Similarity NPC281296
0.7248 Intermediate Similarity NPC31839
0.7238 Intermediate Similarity NPC197736
0.7234 Intermediate Similarity NPC477390
0.7234 Intermediate Similarity NPC477385
0.7232 Intermediate Similarity NPC471580
0.7222 Intermediate Similarity NPC133625
0.7222 Intermediate Similarity NPC118225
0.7222 Intermediate Similarity NPC15218
0.7217 Intermediate Similarity NPC162574
0.7217 Intermediate Similarity NPC471965
0.7216 Intermediate Similarity NPC313658
0.7216 Intermediate Similarity NPC199382
0.7216 Intermediate Similarity NPC179659
0.7216 Intermediate Similarity NPC316138
0.7212 Intermediate Similarity NPC47880
0.7212 Intermediate Similarity NPC472753
0.7212 Intermediate Similarity NPC154127
0.7209 Intermediate Similarity NPC148192
0.7209 Intermediate Similarity NPC330426
0.7209 Intermediate Similarity NPC475443
0.7209 Intermediate Similarity NPC271921
0.7209 Intermediate Similarity NPC127091
0.7209 Intermediate Similarity NPC104537
0.7209 Intermediate Similarity NPC473829
0.7209 Intermediate Similarity NPC22101
0.7207 Intermediate Similarity NPC475486
0.7207 Intermediate Similarity NPC164389
0.7204 Intermediate Similarity NPC200446
0.7204 Intermediate Similarity NPC472948
0.72 Intermediate Similarity NPC472195

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478036 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
0.8191 Intermediate Similarity NPD7983 Approved
0.7857 Intermediate Similarity NPD7839 Suspended
0.757 Intermediate Similarity NPD8413 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD6698 Approved
0.7526 Intermediate Similarity NPD46 Approved
0.7525 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6101 Approved
0.7374 Intermediate Similarity NPD5779 Approved
0.7374 Intermediate Similarity NPD5778 Approved
0.7281 Intermediate Similarity NPD8516 Approved
0.7281 Intermediate Similarity NPD8513 Phase 3
0.7281 Intermediate Similarity NPD8517 Approved
0.7281 Intermediate Similarity NPD8515 Approved
0.7273 Intermediate Similarity NPD6411 Approved
0.7172 Intermediate Similarity NPD7838 Discovery
0.7155 Intermediate Similarity NPD7829 Approved
0.7155 Intermediate Similarity NPD8328 Phase 3
0.7155 Intermediate Similarity NPD7830 Approved
0.713 Intermediate Similarity NPD8444 Approved
0.7094 Intermediate Similarity NPD8340 Approved
0.7094 Intermediate Similarity NPD8342 Approved
0.7094 Intermediate Similarity NPD8341 Approved
0.7094 Intermediate Similarity NPD8299 Approved
0.7034 Intermediate Similarity NPD8451 Approved
0.6975 Remote Similarity NPD8448 Approved
0.6975 Remote Similarity NPD8074 Phase 3
0.6972 Remote Similarity NPD6686 Approved
0.6947 Remote Similarity NPD5369 Approved
0.693 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6435 Approved
0.687 Remote Similarity NPD7641 Discontinued
0.686 Remote Similarity NPD3197 Phase 1
0.6838 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6803 Remote Similarity NPD8392 Approved
0.6803 Remote Similarity NPD8391 Approved
0.6803 Remote Similarity NPD8390 Approved
0.6796 Remote Similarity NPD5282 Discontinued
0.678 Remote Similarity NPD8080 Discontinued
0.6765 Remote Similarity NPD7637 Suspended
0.6757 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6412 Phase 2
0.6701 Remote Similarity NPD4269 Approved
0.6701 Remote Similarity NPD4270 Approved
0.6667 Remote Similarity NPD5368 Approved
0.6638 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6633 Remote Similarity NPD7154 Phase 3
0.6614 Remote Similarity NPD7966 Clinical (unspecified phase)
0.661 Remote Similarity NPD6319 Approved
0.66 Remote Similarity NPD5786 Approved
0.6587 Remote Similarity NPD8415 Approved
0.6535 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7492 Approved
0.6504 Remote Similarity NPD7736 Approved
0.65 Remote Similarity NPD5363 Approved
0.6495 Remote Similarity NPD4252 Approved
0.6495 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6475 Remote Similarity NPD8273 Phase 1
0.6475 Remote Similarity NPD6616 Approved
0.6471 Remote Similarity NPD6054 Approved
0.6458 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6446 Remote Similarity NPD7642 Approved
0.6435 Remote Similarity NPD8297 Approved
0.6423 Remote Similarity NPD7078 Approved
0.6423 Remote Similarity NPD8293 Discontinued
0.6404 Remote Similarity NPD6371 Approved
0.6379 Remote Similarity NPD8133 Approved
0.6373 Remote Similarity NPD4250 Approved
0.6373 Remote Similarity NPD4251 Approved
0.6364 Remote Similarity NPD8086 Approved
0.6364 Remote Similarity NPD8082 Approved
0.6364 Remote Similarity NPD6370 Approved
0.6364 Remote Similarity NPD8139 Approved
0.6364 Remote Similarity NPD8085 Approved
0.6364 Remote Similarity NPD8084 Approved
0.6364 Remote Similarity NPD8138 Approved
0.6364 Remote Similarity NPD8083 Approved
0.6346 Remote Similarity NPD5785 Approved
0.6333 Remote Similarity NPD6059 Approved
0.6327 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6316 Remote Similarity NPD8039 Approved
0.6306 Remote Similarity NPD8276 Approved
0.6306 Remote Similarity NPD8275 Approved
0.63 Remote Similarity NPD6110 Phase 1
0.63 Remote Similarity NPD5362 Discontinued
0.6296 Remote Similarity NPD6083 Phase 2
0.6296 Remote Similarity NPD6084 Phase 2
0.6293 Remote Similarity NPD6882 Approved
0.6281 Remote Similarity NPD6016 Approved
0.6281 Remote Similarity NPD6921 Approved
0.6281 Remote Similarity NPD6015 Approved
0.6275 Remote Similarity NPD4249 Approved
0.625 Remote Similarity NPD8081 Approved
0.6239 Remote Similarity NPD4632 Approved
0.623 Remote Similarity NPD5988 Approved
0.6218 Remote Similarity NPD7500 Approved
0.6218 Remote Similarity NPD6009 Approved
0.6195 Remote Similarity NPD8393 Approved
0.619 Remote Similarity NPD7319 Approved
0.6168 Remote Similarity NPD7748 Approved
0.6162 Remote Similarity NPD4821 Approved
0.6162 Remote Similarity NPD4822 Approved
0.6162 Remote Similarity NPD4820 Approved
0.6162 Remote Similarity NPD4819 Approved
0.6132 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6122 Remote Similarity NPD4238 Approved
0.6122 Remote Similarity NPD3732 Approved
0.6122 Remote Similarity NPD4802 Phase 2
0.6122 Remote Similarity NPD4268 Approved
0.6122 Remote Similarity NPD4271 Approved
0.6121 Remote Similarity NPD6421 Discontinued
0.6117 Remote Similarity NPD6422 Discontinued
0.6117 Remote Similarity NPD5279 Phase 3
0.6111 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6111 Remote Similarity NPD7909 Approved
0.6111 Remote Similarity NPD5695 Phase 3
0.6095 Remote Similarity NPD5370 Suspended
0.6092 Remote Similarity NPD6109 Phase 1
0.6091 Remote Similarity NPD4225 Approved
0.6087 Remote Similarity NPD6899 Approved
0.6087 Remote Similarity NPD6881 Approved
0.6087 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6083 Remote Similarity NPD7115 Discovery
0.608 Remote Similarity NPD7507 Approved
0.6075 Remote Similarity NPD6399 Phase 3
0.6068 Remote Similarity NPD6650 Approved
0.6068 Remote Similarity NPD8130 Phase 1
0.6068 Remote Similarity NPD6649 Approved
0.6068 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7329 Approved
0.6058 Remote Similarity NPD7524 Approved
0.6053 Remote Similarity NPD6675 Approved
0.6053 Remote Similarity NPD6402 Approved
0.6053 Remote Similarity NPD7128 Approved
0.6053 Remote Similarity NPD5739 Approved
0.6053 Remote Similarity NPD5048 Discontinued
0.6045 Remote Similarity NPD8384 Approved
0.6034 Remote Similarity NPD6372 Approved
0.6034 Remote Similarity NPD6373 Approved
0.602 Remote Similarity NPD4756 Discovery
0.6019 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6016 Remote Similarity NPD8267 Approved
0.6016 Remote Similarity NPD8266 Approved
0.6016 Remote Similarity NPD8268 Approved
0.6016 Remote Similarity NPD7503 Approved
0.6016 Remote Similarity NPD8269 Approved
0.6 Remote Similarity NPD5737 Approved
0.6 Remote Similarity NPD7902 Approved
0.6 Remote Similarity NPD6672 Approved
0.6 Remote Similarity NPD5697 Approved
0.6 Remote Similarity NPD8140 Approved
0.6 Remote Similarity NPD8307 Discontinued
0.5984 Remote Similarity NPD8336 Approved
0.5984 Remote Similarity NPD8337 Approved
0.5983 Remote Similarity NPD4634 Approved
0.5983 Remote Similarity NPD7290 Approved
0.5983 Remote Similarity NPD6883 Approved
0.5983 Remote Similarity NPD7102 Approved
0.5982 Remote Similarity NPD5344 Discontinued
0.5981 Remote Similarity NPD7515 Phase 2
0.5969 Remote Similarity NPD7260 Phase 2
0.5955 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5948 Remote Similarity NPD7320 Approved
0.5946 Remote Similarity NPD5696 Approved
0.5946 Remote Similarity NPD7638 Approved
0.5943 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5938 Remote Similarity NPD3181 Approved
0.5935 Remote Similarity NPD8377 Approved
0.5935 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5935 Remote Similarity NPD8294 Approved
0.5932 Remote Similarity NPD6869 Approved
0.5932 Remote Similarity NPD6847 Approved
0.5932 Remote Similarity NPD6617 Approved
0.5929 Remote Similarity NPD8301 Approved
0.5929 Remote Similarity NPD8300 Approved
0.592 Remote Similarity NPD7604 Phase 2
0.5914 Remote Similarity NPD898 Approved
0.5914 Remote Similarity NPD897 Approved
0.5914 Remote Similarity NPD896 Approved
0.5897 Remote Similarity NPD8306 Approved
0.5897 Remote Similarity NPD6013 Approved
0.5897 Remote Similarity NPD6012 Approved
0.5897 Remote Similarity NPD8305 Approved
0.5897 Remote Similarity NPD6014 Approved
0.5893 Remote Similarity NPD7640 Approved
0.5893 Remote Similarity NPD6648 Approved
0.5893 Remote Similarity NPD7639 Approved
0.5891 Remote Similarity NPD5956 Approved
0.5887 Remote Similarity NPD8379 Approved
0.5887 Remote Similarity NPD8389 Clinical (unspecified phase)
0.5887 Remote Similarity NPD8335 Approved
0.5887 Remote Similarity NPD5983 Phase 2
0.5887 Remote Similarity NPD8296 Approved
0.5887 Remote Similarity NPD8378 Approved
0.5887 Remote Similarity NPD8380 Approved
0.5887 Remote Similarity NPD8033 Approved
0.5882 Remote Similarity NPD5209 Approved
0.5868 Remote Similarity NPD2629 Approved

Structure

External Identifiers

PubChem CID   44614261
ChEMBL   CHEMBL1076753
ZINC  

Physicochemical Properties

Molecular Weight:  820.46
ALogP:  -2.171
MLogP:  4.76
XLogP:  5.186
# Rotatable Bonds:  10
Polar Surface Area:  226.58
# H-Bond Aceptor:  14
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  58

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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