input word = C00001781

Metabolite InformationStructural formula
Name Vinblastine
Formula C46H58N4O9
Mw 810.42037948
CAS RN 865-21-4
C_ID C00001781 ,
InChIKey JXLYSJRDGCGARV-QBESMYTMNA-N
InChICode InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38-,39-,42+,43-,44-,45+,46+/m1/s1
SMILES c1cc2c(cc1)c1c([nH]2)[C@](C[C@@H]2CN(CC1)C[C@](C2)(O)CC)(c1c(cc2c(c1)[C@@]13[C@@H](N2C)[C@@]([C@@H]([C@]2([C@H]1N(CC=C2)CC3)CC)OC(=O)C)(O)C(=O)OC)OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus (L.) G.DON Ref.
PlantaeApocynaceaeVinca rosea Ref.
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