input word = C00034814

Metabolite InformationStructural formula
Name Carexane I
(+)-Carexane I
Formula C21H24O3
Mw 324.17254463
CAS RN 894774-00-6
C_ID C00034814 ,
InChIKey FOIFXGNTOSLLEH-GAENOXONNA-N
InChICode InChI=1S/C21H24O3/c1-13(2)16-12-17-18(10-15(23-3)11-19(17)24-4)21(22)20(16)14-8-6-5-7-9-14/h5-11,16,20-22H,1,12H2,2-4H3/t16-,20-,21-/m0/s1
SMILES c1c(cc2c(c1OC)C[C@H]([C@@H]([C@H]2O)c1ccccc1)C(=C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex distachya Ref.
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