input word = C00012228

Metabolite InformationStructural formula
Name 6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
Formula C20H26O7
Mw 378.16785319
CAS RN 72023-19-9
C_ID C00012228 ,
InChIKey KZJNKSIORXDWKH-PUCXRGNANA-N
InChICode InChI=1S/C20H26O7/c1-4-11(2)19(24)27-18-16-12(3)20(25)26-15(16)8-13(9-21)6-5-7-14(10-22)17(18)23/h7-8,10-11,15-18,21,23H,3-6,9H2,1-2H3/b13-8+,14-7-/t11-,15+,16-,17-,18-/m0/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)/C=C(\CC/C=C(\[C@@H]([C@H]2OC(=O)[C@@H](C)CC)O)/C=O)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
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OrganismAcanthospermum hispidum
ReferenceBohlmann,Phytochem.,18,(1979),625

Searman,Phytochem.,18,(1979),1065