input word = C00012165

Metabolite InformationStructural formula
Name [3aS-[3aR*,4R*,5S*(Z),6S*,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid
Formula C24H26O9
Mw 458.15768243
CAS RN 71052-07-8
C_ID C00012165 ,
InChIKey ULHGPPZPESCVII-IRJRGYSYNA-N
InChICode InChI=1S/C24H26O9/c1-7-12(4)22(28)32-20-19(31-21(27)11(2)3)18-13(5)23(29)30-16(18)8-14(10-25)15-9-17(26)24(20,6)33-15/h7-9,16,18-20,25H,2,5,10H2,1,3-4,6H3/b12-7+,14-8+/t16-,18-,19+,20-,24+/m0/s1
SMILES [C@@]12([C@H]([C@@H]([C@@H]3[C@H](/C=C(/C(=CC1=O)O2)\CO)OC(=O)C3=C)OC(=O)C(=C)C)OC(=O)/C(=C/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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