input word = C00063074

Metabolite InformationStructural formula
Name (1alpha,4beta,4aalpha,4bbeta,10beta)-4,4a,7-Trihydroxy-1-methyl-8-methylene-gibb-2-ene-1,10-dicarboxylic acid, 1,4a-lactone
Formula C19H22O6
Mw 346.14163844
CAS RN 81826-52-0
C_ID C00063074
InChIKey NYKKBHKMCOFCSE-KDOUOODKSA-N
InChICode InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)6-3-10(17)19-11(20)4-5-16(2,15(23)25-19)13(19)12(17)14(21)22/h4-5,10-13,20,24H,1,3,6-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19+/m1/s1
SMILES C=C1CC23CC1(O)CCC2C12OC(=O)C(C)(C=CC1O)C2C3C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeTriticum aestivum Ref.
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OrganismTriticum aestivum
Referencehttps://doi.org/10.1016/S0031-9422(00)89529-1