input word = C00042342

Metabolite InformationStructural formula
Name Caseargrewiin A
(+)-Caseargrewiin A
Formula C30H44O8
Mw 532.30361838
CAS RN 847841-92-3
C_ID C00042342 ,
InChIKey OSFRHUJJEKKRCH-IMWZMUGFNA-N
InChICode InChI=1S/C30H44O8/c1-10-18(4)11-12-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)13-17(2)3/h10,15,17,19,22,24-25,27-28H,1,4,11-14,16H2,2-3,5-9H3/t19-,22+,24+,25+,27+,28-,29-,30+/m0/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@@]3([C@@H]1OC)C(=C[C@H](C2)OC(=O)CC(C)C)[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)(CCC(=C)C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia grewiifolia Ref.
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