input word = C00042344

Metabolite InformationStructural formula
Name Caseargrewiin C
(+)-Caseargrewiin C
Formula C31H44O10
Mw 576.29344763
CAS RN 847841-94-5
C_ID C00042344 ,
InChIKey FKSLEDQKNYSZPO-RVMTXFQCNA-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/h10-11,14,16,18,22,24,26-29,36H,1,12-13,15H2,2-9H3/b17-11-/t18-,22+,24+,26-,27+,28+,29-,30+,31-/m1/s1
SMILES [C@H]1([C@H]([C@@]([C@H]2[C@@]3([C@H]1O)C(=C[C@@H](C2)OC(=O)CC(C)C)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(C/C=C(\C=C)/C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia grewiifolia Ref.
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OrganismCasearia grewiifolia
ReferenceKanokmedhakul,J.Nat.Prod.,68,(2005),183