input word = C00043353

Metabolite InformationStructural formula
Name Caseamembrin C
(+)-Caseamembrin C
Formula C31H46O9
Mw 562.31418307
CAS RN 664351-47-7
C_ID C00043353 ,
InChIKey BOVQULZBTRBINP-ZSURLNEPNA-N
InChICode InChI=1S/C31H46O9/c1-9-12-24(33)39-28-22-15-21(38-27(36)18(5)11-3)16-23-30(8,14-13-17(4)10-2)19(6)25(34)26(35)31(22,23)29(40-28)37-20(7)32/h10,15,18-19,21,23,25-26,28-29,34-35H,2,4,9,11-14,16H2,1,3,5-8H3/t18-,19-,21+,23+,25+,26+,28+,29-,30+,31+/m0/s1
SMILES [C@H]1([C@@H]([C@]([C@@H]2[C@@]3([C@@H]1O)C(=C[C@H](C2)OC(=O)[C@H](CC)C)[C@@H](O[C@@H]3OC(=O)C)OC(=O)CCC)(CCC(=C)C=C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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OrganismCasearia membranacea
ReferenceShen,J.Nat.Prod.,67,(2004),316