input word = C00011891

Metabolite InformationStructural formula
Name Libanotic acid
Formula C12H18O3
Mw 210.12559444
CAS RN 119765-97-8
C_ID C00011891 ,
InChIKey XZILMTFQXIMXQT-UHFFFAOYNA-N
InChICode InChI=1S/C12H18O3/c1-8(7-9(2)13)10-3-5-11(6-4-10)12(14)15/h5,8,10H,3-4,6-7H2,1-2H3,(H,14,15)/t8-,10+/m1/s1
SMILES [C@H]1(CCC(=CC1)C(=O)O)[C@H](C)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeCedrus libani Ref.
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