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=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C[C@H](O)[C@@]1(C)CC[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia flexibilis Ref.
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