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 C1[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia membranacea Ref.
PlantaeSamydaceaeCasearia sylvestris var.lingua Ref.
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OrganismCasearia sylvestris var.lingua
ReferenceEspindola, et al., Planta Med, 70, (2004), 1093.

Shen, et al., Journal of Natural Products, 67, (2004), 316.