input word = C00012164

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5S*,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 3-methylbutanoic acid
Formula C24H28O9
Mw 460.17333249
CAS RN 71052-05-6
C_ID C00012164 ,
InChIKey LYKGKDACTQXUIP-ZSOIEALJNA-N
InChICode InChI=1S/C24H28O9/c1-11(2)7-18(27)31-22-21(32-23(29)12(3)4)20-15(19(28)13(5)30-20)8-14(10-25)16-9-17(26)24(22,6)33-16/h8-9,11,15,20-22,25H,3,5,7,10H2,1-2,4,6H3/b14-8+/t15-,20+,21+,22-,24+/m1/s1
SMILES C=C(C)C(=O)OC1C2OC(=C)C(=O)C2/C=C(CO)C2=CC(=O)C(C)(O2)C1OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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OrganismCalea urticifolia
ReferenceBohlmann,Phytochem.,18,(1979),119