input word = C00059335

Metabolite InformationStructural formula
Name Leurosinone
Formula C49H60N4O10
Mw 864.43094417
CAS RN 117590-95-1
C_ID C00059335
InChIKey YZYJEFXKAHSJBC-UHFFFAOYSA-N
InChICode InChI=1S/C49H60N4O10/c1-9-45-16-13-18-52-19-17-47(40(45)52)33-22-34(37(59-6)23-36(33)51(5)41(47)49(58,44(57)61-8)42(45)62-28(4)55)48(43(56)60-7)24-29-25-53(26-46(10-2)39(29)63-46)30(20-27(3)54)21-32-31-14-11-12-15-35(31)50-38(32)48/h11-16,22-23,29-30,39-42,50,58H,9-10,17-21,24-26H2,1-8H3
SMILES CCC12CN3CC(CC(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)c4[nH]c5ccccc5c4CC3CC(C)=O)C1O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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