input word = C00063347

Metabolite InformationStructural formula
Name (1alpha,2beta,4aalpha,4bbeta,6alpha,10beta)-6-Hydroxy-1-methyl-8-methylene-2-(3-methyl-1-oxobutoxy)-gibbane-1,4a,10-tricarboxylic acid
Formula C25H34O9
Mw 478.22028269
CAS RN 90832-20-5
C_ID C00063347
InChIKey PGQPKTHMBIOFIN-WUWWEOQMSA-N
InChICode InChI=1S/C25H34O9/c1-11(2)7-17(27)34-16-5-6-25(22(32)33)15-8-14(26)13-10-24(15,9-12(13)3)18(20(28)29)19(25)23(16,4)21(30)31/h11,13-16,18-19,26H,3,5-10H2,1-2,4H3,(H,28,29)(H,30,31)(H,32,33)/t13-,14+,15-,16+,18-,19-,23-,24+,25-/m1/s1
SMILES C=C1CC23CC1C(O)CC2C1(C(=O)O)CCC(OC(=O)CC(C)C)C(C)(C(=O)O)C1C3C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita sp. Ref.
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