input word = C00023294

Metabolite InformationStructural formula
Name 2alpha-Hydroxy-7-labden-15-oic acid
Formula C20H34O3
Mw 322.25079495
CAS RN 125180-45-2
C_ID C00023294 ,
InChIKey LWUHLGGCVPLTND-XOUTWNKVNA-N
InChICode InChI=1S/C20H34O3/c1-13(10-18(22)23)6-8-16-14(2)7-9-17-19(3,4)11-15(21)12-20(16,17)5/h7,13,15-17,21H,6,8-12H2,1-5H3,(H,22,23)/t13-,15+,16+,17+,20+/m1/s1
SMILES [C@@H]1(CC([C@H]2[C@@](C1)([C@H](C(=CC2)C)CC[C@H](CC(=O)O)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia laciniata Ref.
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OrganismBrickellia laciniata
ReferenceJakupovic,Phytochem.,28,(1989),2741