input word = C00059977

Metabolite InformationStructural formula
Name [3aS-[3aR*,4S*(Z),6S*,7R*,10R*,11aS*]]-2-Butenoic acid, dodecahydro-10-(hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylene-2,9-dioxocyclodeca[b]furan-4-yl ester
Formula C21H30O8
Mw 410.19406794
CAS RN 145772-54-9
C_ID C00059977
InChIKey YFDDCQNTPWLOQE-UHFFFAOYSA-N
InChICode InChI=1S/C21H30O8/c1-6-7-18(24)28-16-10-21(3,27-5)17(26-4)9-14(23)13(11-22)8-15-19(16)12(2)20(25)29-15/h6-7,13,15-17,19,22H,2,8-11H2,1,3-5H3
SMILES C=C1C(=O)OC2CC(CO)C(=O)CC(OC)C(C)(OC)CC(OC(=O)C=CC)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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OrganismHelianthus annuus
Referencehttps://doi.org/10.1016/0031-9422(92)80423-C