input word = C00021980

Metabolite InformationStructural formula
Name Isokhusenic acid
Formula C15H22O2
Mw 234.16197995
CAS RN 16202-79-2
C_ID C00021980 ,
InChIKey DHPMFKAJSXGYDJ-UHFFFAOYNA-N
InChICode InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10,12H,4-8H2,1-3H3,(H,16,17)/t10-,12+,15-/m1/s1
SMILES C1[C@H]([C@]23C(=C(C([C@H](CC2)C3)(C)C)C)C1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeVetiveria zizanioides Ref.
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OrganismVetiveria zizanioides
ReferenceKomae,J. Org. Chem.,33,(1968),1771