input word = C00062277

Metabolite InformationStructural formula
Name Vincathicine
Formula C46H56N4O9
Mw 808.40472942
CAS RN 57665-10-8
C_ID C00062277
InChIKey AYFGUFZGUHLVPW-UHFFFAOYSA-N
InChICode InChI=1S/C46H56N4O9/c1-8-41-15-12-18-50-20-17-44(36(41)50)29-21-30(33(56-5)22-32(29)48(4)37(44)46(55,40(53)58-7)38(41)59-26(3)51)45(39(52)57-6)23-27-24-49-19-16-43(34(27)42(54,9-2)25-49)28-13-10-11-14-31(28)47-35(43)45/h10-15,21-22,27,34,36-38,54-55H,8-9,16-20,23-25H2,1-7H3
SMILES CCC1(O)CN2CCC34C(=Nc5ccccc53)C(C(=O)OC)(c3cc5c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC53C76)CC(C2)C14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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