input word = C00061181

Metabolite InformationStructural formula
Name (1alpha,4aalpha,4bbeta,8alpha,10beta)-8-Hydroxy-8-(hydroxymethyl)-1-methylgibbane-1,4a,10-tricarboxylic acid
Formula C20H28O8
Mw 396.17841787
CAS RN 268222-10-2
C_ID C00061181
InChIKey UZUHZGJWTWSEGD-ICTPIYIVSA-N
InChICode InChI=1S/C20H28O8/c1-17(15(24)25)5-2-6-20(16(26)27)11-4-3-10-7-18(11,8-19(10,28)9-21)12(13(17)20)14(22)23/h10-13,21,28H,2-9H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12-,13-,17-,18-,19+,20-/m1/s1
SMILES CC1(C(=O)O)CCCC2(C(=O)O)C1C(C(=O)O)C13CC(CCC12)C(O)(CO)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus avium Ref.
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