input word = C00047022

Metabolite InformationStructural formula
Name Casearborin C
(+)-Casearborin C
Formula C31H38O9
Mw 554.25158281
CAS RN 272771-16-1
C_ID C00047022 ,
InChIKey CIQOXQMVAFIWID-SEEMOYMHNA-N
InChICode InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(39-27(36)21-8-10-22(34)11-9-21)31-24(15-23(35)16-25(30)31)28(37-19(4)32)40-29(31)38-20(5)33/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+/t18-,23+,25+,26+,28+,29-,30-,31-/m1/s1
SMILES C1[C@H]([C@]([C@H]2[C@@]3([C@H]1OC(=O)c1ccc(cc1)O)C(=C[C@@H](C2)O)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(C/C=C(/C=C)\C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia arborea Ref.
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OrganismCasearia arborea
ReferenceBeutler,J.Nat.Prod.,63,(2000),657