input word = C00047020

Metabolite InformationStructural formula
Name Casearborin A
(+)-Casearborin A
Formula C31H38O8
Mw 538.25666819
CAS RN 272771-14-9
C_ID C00047020 ,
InChIKey RKOVIXOSRVSKPI-CLBYEEQENA-N
InChICode InChI=1S/C31H38O8/c1-7-18(2)12-14-30(6)19(3)13-15-31-25(28(36-20(4)32)39-29(31)37-21(5)33)16-24(17-26(30)31)38-27(35)22-8-10-23(34)11-9-22/h7-12,16,19,24,26,28-29,34H,1,13-15,17H2,2-6H3/b18-12+/t19-,24+,26+,28+,29-,30-,31-/m1/s1
SMILES C1[C@H]([C@]([C@H]2[C@@]3(C1)C(=C[C@@H](C2)OC(=O)c1ccc(cc1)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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