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 C=C1[C@H](O)CC2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium salvia Ref.
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OrganismEupatorium salvia
ReferenceGonzalez,Phytochem.,29,(1990),321