input word = C00042339

Metabolite InformationStructural formula
Name Caseamembrin M
(+)-Caseamembrin M
Formula C33H48O9
Mw 588.32983313
CAS RN 870538-04-8
C_ID C00042339 ,
InChIKey AELPJSZDZHHLQC-GGPHLMSQNA-N
InChICode InChI=1S/C33H48O9/c1-10-13-28(36)41-27-16-21(6)32(9,15-14-19(4)11-2)26-18-24(40-29(37)20(5)12-3)17-25-30(38-22(7)34)42-31(33(25,26)27)39-23(8)35/h11,17,20-21,24,26-27,30-31H,2,4,10,12-16,18H2,1,3,5-9H3/t20-,21-,24+,26+,27+,30+,31-,32-,33-/m0/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@]3([C@@H]1OC(=O)CCC)C(=C[C@H](C2)OC(=O)[C@H](CC)C)[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)(CCC(=C)C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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OrganismCasearia membranacea
ReferenceShen,J.Nat.Prod.,68,(2005),1665