input word = C00038708

Metabolite InformationStructural formula
Name Caseanigrescen B
(+)-Caseanigrescen B
Formula C28H40O9
Mw 520.26723288
CAS RN 925693-17-0
C_ID C00038708 ,
InChIKey FACSSBRLFWVHQA-FGQRVWNFNA-N
InChICode InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27+,28+/m1/s1
SMILES [C@H]1([C@H]([C@@]([C@H]2[C@]3([C@H]1O)C(=C[C@@H](C2)OC(=O)CCC)[C@H](O[C@H]3OC(=O)C)OC(=O)C)(CCC(=C)C=C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia nigrescens Ref.
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