input word = C00064415

Metabolite InformationStructural formula
Name Leurocolombine
Formula C46H58N4O10
Mw 826.4152941
CAS RN 56974-17-5
C_ID C00064415
InChIKey KOJNOUDTANTSIX-UHFFFAOYSA-N
InChICode InChI=1S/C46H58N4O10/c1-8-41(54)23-42(55)24-45(39(52)58-6,35-29(15-19-49(25-41)26-42)28-13-10-11-14-32(28)47-35)31-21-30-33(22-34(31)57-5)48(4)37-44(30)17-20-50-18-12-16-43(9-2,36(44)50)38(60-27(3)51)46(37,56)40(53)59-7/h10-14,16,21-22,36-38,47,54-56H,8-9,15,17-20,23-26H2,1-7H3
SMILES CCC1(O)CN2CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)CC(O)(C2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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