input word = C00023333

Metabolite InformationStructural formula
Name 3beta,7alpha-Dihydroxy-8(17)-labden-15-oic acid
Formula C20H34O4
Mw 338.24570957
CAS RN 126017-09-2
C_ID C00023333 ,
InChIKey LDFXVMMUPFCSSW-PXGVLXGPNA-N
InChICode InChI=1S/C20H34O4/c1-12(10-18(23)24)6-7-14-13(2)15(21)11-16-19(3,4)17(22)8-9-20(14,16)5/h12,14-17,21-22H,2,6-11H2,1,3-5H3,(H,23,24)/t12-,14-,15+,16-,17-,20+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@H](C(=C)[C@@H](C2)O)CC[C@@H](CC(=O)O)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium salvia Ref.
zoom in



OrganismEupatorium salvia
ReferenceGonzalez,Phytochem.,29,(1990),321