input word = C00060333

Metabolite InformationStructural formula
Name 4a,8-Dihydroxy-8-(hydroxymethyl)-1-methyl-gibbane-1,10-dicarboxylic acid, 1,4a-lactone
Formula C19H26O6
Mw 350.17293856
CAS RN 171337-50-1
C_ID C00060333
InChIKey OXEMPUBMLFVGQQ-QMIOXTHZSA-N
InChICode InChI=1S/C19H26O6/c1-16-5-2-6-19(25-15(16)23)11-4-3-10-7-17(11,8-18(10,24)9-20)12(13(16)19)14(21)22/h10-13,20,24H,2-9H2,1H3,(H,21,22)/t10?,11-,12-,13-,16-,17-,18?,19-/m1/s1
SMILES CC12CCCC3(OC1=O)C2C(C(=O)O)C12CC(CCC13)C(O)(CO)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum Ref.
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OrganismPisum sativum
Referencehttps://doi.org/10.1016/0031-9422(95)00489-T