input word = C00048799

Metabolite InformationStructural formula
Name Neopeltolide
(+)-Neopeltolide
Formula C31H46N2O9
Mw 590.32033108
CAS RN 934220-90-3
C_ID C00048799 ,
InChIKey JMWAEHXMWKDLLL-ASGAQWLINA-N
InChICode InChI=1S/C31H46N2O9/c1-20(2)27-17-23(37-4)13-21(3)14-24-15-25(16-26(40-24)18-30(35)42-27)41-29(34)11-7-6-9-22-19-39-28(33-22)10-8-12-32-31(36)38-5/h7-8,10-11,19-21,23-27H,6,9,12-18H2,1-5H3,(H,32,36)/b10-8-,11-7-/t21-,23-,24+,25+,26+,27+/m0/s1
SMILES C1[C@H](C[C@@H]2CC(=O)O[C@H](C[C@H](C[C@@H](C[C@H]1O2)C)OC)C(C)C)OC(=O)/C=C\CCc1coc(n1)/C=C\CNC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Daedalopelta sp. Ref.
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