input word = C00034816

Metabolite InformationStructural formula
Name Carexane L
Formula C21H22O5
Mw 354.14672381
CAS RN 894774-03-9
C_ID C00034816 ,
InChIKey OFASBMPLCKZWQK-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O5/c1-21(2)16-8-6-5-7-13(16)19(22)17(21)11-14-15(20(23)24)9-12(25-3)10-18(14)26-4/h5-10,17H,11H2,1-4H3,(H,23,24)/t17-/m0/s1
SMILES c1ccc2c(c1)C([C@H](C2=O)Cc1c(cc(cc1C(=O)O)OC)OC)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCarex distachya Ref.
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