input word = C00047023

Metabolite InformationStructural formula
Name Casearborin D
(+)-Casearborin D
Formula C31H38O9
Mw 554.25158281
CAS RN 272771-17-2
C_ID C00047023 ,
InChIKey BTSDTWZLDJUDMR-SLUHMICFNA-N
InChICode InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(35)31-24(28(37-19(4)32)40-29(31)38-20(5)33)15-23(16-25(30)31)39-27(36)21-8-10-22(34)11-9-21/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 C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)C23C(=C[C@H](OC(=O)c4ccc(O)cc4)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 arborea Ref.
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OrganismCasearia arborea
ReferenceBeutler,J.Nat.Prod.,63,(2000),657