input word = C00057134

Metabolite InformationStructural formula
Name 10,12-Peroxycalamenene
Formula C15H20O2
Mw 232.14632988
CAS RN 168207-85-0
C_ID C00057134
InChIKey ALXPNLYWXCZUCG-UHFFFAOYSA-N
InChICode InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3
SMILES Cc1ccc2c(c1)C1CCC2(C)OOC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCyperus rotundus Ref.
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OrganismCyperus rotundus
ReferenceThebtaranonth, C. et al., Phytochemistry, 1995, 40, 125-128 (isol, pmr, cmr)