input word = C00040317

Metabolite InformationStructural formula
Name Sinulariolone
(-)-Sinulariolone
Formula C20H30O6
Mw 366.20423869
CAS RN 169238-13-5
C_ID C00040317 ,
InChIKey MMFMKUFASHHEIN-YJZPGGMLNA-N
InChICode InChI=1S/C20H30O6/c1-12-13-5-9-19(3,26-17(12)23)14(21)6-8-18(2,24)16-7-10-20(4,25-16)15(22)11-13/h13,15-16,22,24H,1,5-11H2,2-4H3/t13-,15+,16+,18-,19-,20-/m1/s1
SMILES C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CCC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia flexibilis Ref.
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