input word = C00042341

Metabolite InformationStructural formula
Name Caseamembrin O
(+)-Caseamembrin O
Formula C31H44O10
Mw 576.29344763
CAS RN 870538-07-1
C_ID C00042341 ,
InChIKey MXZZEEMZKQYYNV-MJFRUXOJNA-N
InChICode InChI=1S/C31H44O10/c1-10-17(4)11-12-30(9)18(5)26(37-19(6)32)27(36)31-23(28(38-20(7)33)41-29(31)39-21(8)34)14-22(15-24(30)31)40-25(35)13-16(2)3/h10,14,16,18,22,24,26-29,36H,1,4,11-13,15H2,2-3,5-9H3/t18-,22+,24+,26+,27+,28+,29-,30+,31+/m0/s1
SMILES C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)C23C(=C[C@@H](OC(=O)CC(C)C)C[C@@H]21)[C@H](OC(C)=O)O[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
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