input word = C00059741

Metabolite InformationStructural formula
Name Vindolicine
Formula C51H64N4O12
Mw 924.45207354
CAS RN 1362-14-7
C_ID C00059741
InChIKey GTYHMLPTHUKXMG-UHFFFAOYSA-N
InChICode InChI=1S/C51H64N4O12/c1-11-46-15-13-19-54-21-17-48(38(46)54)32-24-30(36(62-7)26-34(32)52(5)40(48)50(60,44(58)64-9)42(46)66-28(3)56)23-31-25-33-35(27-37(31)63-8)53(6)41-49(33)18-22-55-20-14-16-47(12-2,39(49)55)43(67-29(4)57)51(41,61)45(59)65-10/h13-16,24-27,38-43,60-61H,11-12,17-23H2,1-10H3
SMILES CCC12C=CCN3CCC4(c5cc(Cc6cc7c(cc6OC)N(C)C6C(O)(C(=O)OC)C(OC(C)=O)C8(CC)C=CCN9CCC76C98)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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