input word = C00059557

Metabolite InformationStructural formula
Name (1alpha,4aalpha,4bbeta,10beta)-7-Hydroxy-8-(hydroxymethyl)-1,4a-dimethyl-gibbane-1,10-dicarboxylic acid
Formula C20H30O6
Mw 366.20423869
CAS RN 128533-04-0
C_ID C00059557
InChIKey VAXBUIULTBXYOZ-OKWZCUNCSA-N
InChICode InChI=1S/C20H30O6/c1-17-5-3-6-18(2,16(24)25)14(17)13(15(22)23)19-8-11(9-21)20(26,10-19)7-4-12(17)19/h11-14,21,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11?,12-,13+,14-,17-,18+,19-,20-/m0/s1
SMILES CC1(C(=O)O)CCCC2(C)C1C(C(=O)O)C13CC(CO)C(O)(CCC21)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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OrganismSpinacia oleracea
Referencehttps://doi.org/10.1104/pp.97.4.1521