input word = C00062599

Metabolite InformationStructural formula
Name (2S,4aR,5R,6R,6aR,7S,10R,11R,11aR)-6-(Acetyloxy)decahydro-5,11-dihydroxy-4a,7,12,12-tetramethyl-1-methylene-8-oxo-7H-6a,10-methano-1H-benz[c]azulen-2-yl (2E)-3-phenyl-2-propenoate
Formula C31H38O7
Mw 522.26175357
CAS RN 651355-12-3
C_ID C00062599
InChIKey AMPCLLDDRISXEH-WCJJBNBRSA-N
InChICode InChI=1S/C31H38O7/c1-17-22(33)16-21-25(35)30-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-29(30,6)26(36)27(37-19(3)32)31(17,30)28(21,4)5/h7-13,17,21,23,25-27,35-36H,2,14-16H2,1,3-6H3/b13-12+/t17-,21+,23+,25-,26+,27+,29+,30-,31-/m1/s1
SMILES C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(O)C(OC(C)=O)C34C(C)C(=O)CC(C(O)C123)C4(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
zoom in



OrganismTaxus baccata
Referencehttps://doi.org/10.1021/np030311y