input word = C00040314

Metabolite InformationStructural formula
Name Sinulaflexiolide J
(+)-Sinulaflexiolide J
Formula C22H32O5
Mw 376.22497413
CAS RN 1040402-31-0
C_ID C00040314 ,
InChIKey FYHZAJMWZNMCLN-QPQFTHRUNA-N
InChICode InChI=1S/C22H32O5/c1-14-7-6-8-15(2)19(24)13-18-11-12-22(5,27-21(25)16(18)3)20(10-9-14)26-17(4)23/h7-8,18-20,24H,3,6,9-13H2,1-2,4-5H3/b14-7-,15-8+/t18-,19+,20+,22-/m0/s1
SMILES C1/C(=C\C/C=C(/[C@@H](C[C@H]2C(=C)C(=O)O[C@@]([C@@H](C1)OC(=O)C)(C)CC2)O)\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia flexibilis Ref.
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