input word = C00041029

Metabolite InformationStructural formula
Name Labda-7,12(E),14-triene-17-oic acid
(-)-Labda-7,12(E),14-triene-17-oic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 221456-97-9
C_ID C00041029 ,
InChIKey OYARUPGUBJDJCZ-FSFOCWGSNA-N
InChICode InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(18(21)22)9-11-17-19(3,4)12-7-13-20(16,17)5/h6,8-9,16-17H,1,7,10-13H2,2-5H3,(H,21,22)/b14-8+/t16-,17-,20-/m0/s1
SMILES C1CC([C@H]2[C@@](C1)([C@H](C(=CC2)C(=O)O)C/C=C(/C=C)\C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton oblongifolius Ref.
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OrganismCroton oblongifolius
ReferenceRoengsumran,Phytochem.,50,(1999),449