input word = C00047021

Metabolite InformationStructural formula
Name Casearborin B
(+)-Casearborin B
Formula C32H40O9
Mw 568.26723288
CAS RN 272771-15-0
C_ID C00047021 ,
InChIKey HSCLLTPGIBCIBD-YKNYDLCNNA-N
InChICode InChI=1S/C32H40O9/c1-8-18(2)11-13-31(6)19(3)12-14-32-24(29(38-20(4)33)41-30(32)39-21(5)34)16-23(17-27(31)32)40-28(36)22-9-10-25(35)26(15-22)37-7/h8-11,15-16,19,23,27,29-30,35H,1,12-14,17H2,2-7H3/b18-11+/t19-,23+,27+,29+,30-,31-,32-/m1/s1
SMILES C=C/C(C)=C/C[C@]1(C)[C@H](C)CC[C@@]23C(=C[C@H](OC(=O)c4ccc(O)c(OC)c4)C[C@@H]12)[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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