input word = C00043351

Metabolite InformationStructural formula
Name Caseamembrin A
(+)-Caseamembrin A
Formula C31H46O8
Mw 546.31926845
CAS RN 664351-45-5
C_ID C00043351 ,
InChIKey TZJHOPZZDGIPGM-QGXUIQHENA-N
InChICode InChI=1S/C31H46O8/c1-9-12-26(34)38-28-23-16-22(37-27(35)19(5)11-3)17-24-30(8,14-13-18(4)10-2)20(6)15-25(33)31(23,24)29(39-28)36-21(7)32/h10,16,19-20,22,24-25,28-29,33H,2,4,9,11-15,17H2,1,3,5-8H3/t19-,20-,22+,24+,25+,28+,29-,30-,31+/m0/s1
SMILES C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)C23C(=C[C@@H](OC(=O)C(C)CC)C[C@@H]21)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
PlantaeSamydaceaeCasearia sylvestris var.lingua Ref.
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