input word = C00063087

Metabolite InformationStructural formula
Name (2Z)-2-Methyl-2-butenoic acid, (3aR,4R,6R,6aR,9aR,9bR)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester
Formula C20H26O5
Mw 346.17802394
CAS RN 82462-99-5
C_ID C00063087
InChIKey CSBHDWDGNXOEPU-LAWFEQMHSA-N
InChICode InChI=1S/C20H26O5/c1-6-10(2)18(21)24-14-9-20(5,23)13-8-7-11(3)15(13)17-16(14)12(4)19(22)25-17/h6-7,13-17,23H,4,8-9H2,1-3,5H3/b10-6-/t13-,14-,15+,16-,17-,20-/m1/s1
SMILES C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)CC(C)(O)C1CC=C(C)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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