input word = C00060594

Metabolite InformationStructural formula
Name (1S,2S,3S,4S,5S,9R,12S)-5,12-Dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylic acid
Formula C19H24O6
Mw 348.1572885
CAS RN 19123-84-3
C_ID C00060594
InChIKey GQSZMLLNTSJMBP-UESWMTCRSA-N
InChICode InChI=1S/C19H24O6/c1-9-7-18-8-19(9,25)6-5-11(18)10-3-4-12(20)17(2,16(23)24)13(10)14(18)15(21)22/h3,11-14,20,25H,1,4-8H2,2H3,(H,21,22)(H,23,24)/t11-,12-,13+,14+,17+,18-,19-/m0/s1;InChI=1S/C19H24O6/c1-9-7-18-8-19(9,25)6-5-11(18)10-3-4-12(20)17(2,16(23)24)13(10)14(18)15(21)22/h3,11-14,20,25H,1,4-8H2,2H3,(H,21,22)(H,23,24)
SMILES C=C1CC23CC1(O)CCC2C1=CCC(O)C(C)(C(=O)O)C1C3C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeFabaceaePisum sativum Ref.
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