input word = C00050100

Metabolite InformationStructural formula
Name Flexibolide
(+)-Flexibolide
Formula C20H30O5
Mw 350.20932407
CAS RN 184362-78-5
C_ID C00050100 ,
InChIKey SCGKPOUJRGGFJA-FEWAEMBINA-N
InChICode InChI=1S/C20H30O5/c1-12-5-6-16(22)19(3)10-8-17(24-19)20(4)9-7-14(11-15(12)21)13(2)18(23)25-20/h5,14-17,21-22H,2,6-11H2,1,3-4H3/b12-5+/t14-,15-,16+,17+,19-,20-/m1/s1
SMILES [C@@H]12[C@]3(CC[C@H](C[C@H](/C(=C/C[C@@H]([C@](CC1)(C)O2)O)/C)O)C(=C)C(=O)O3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia flexibilis Ref.
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