input word = C00060773

Metabolite InformationStructural formula
Name (1alpha,2alpha,3beta,4aalpha,4bbeta,10beta)-2,3,4a-Trihydroxy-1-methyl-8-methylene-gibbane-1,10-dicarboxylic acid, 1,4a-lactone
Formula C19H24O6
Mw 348.1572885
CAS RN 211105-44-1
C_ID C00060773
InChIKey IGZIQAJJXGRAJF-GFEHRKRYSA-N
InChICode InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9?,10-,11+,12+,13+,14+,17-,18-,19+/m0/s1
SMILES C=C1CC23CC1CCC2C12CC(O)C(O)C(C)(C(=O)O1)C2C3C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismRaphanus sativus
Referencehttps://doi.org/10.1016/S0031-9422(98)00035-1