input word = C00012267

Metabolite InformationStructural formula
Name 2,3,3a,4,5,8,9,11a-Octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
Formula C20H28O6
Mw 364.18858863
CAS RN 70855-63-9
C_ID C00012267 ,
InChIKey SGOMJRGREDEDDZ-HBGMELLGNA-N
InChICode InChI=1S/C20H28O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h6,9,12,16-18,21-22H,3-5,7-8,10-11H2,1-2H3/b14-6+,15-9+/t12-,16+,17+,18-/m0/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)/C=C(\CC/C=C(\C[C@H]2OC(=O)[C@@H](C)CC)/CO)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCnicothamnus lorentzii Ref.
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