input word = C00019891

Metabolite InformationStructural formula
Name (E)-7-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)coumarin
Formula C19H22O5
Mw 330.14672381
CAS RN 882853-96-5
C_ID C00019891 ,
InChIKey GFNDGCJFPVJMQB-CCXOYDHSNA-N
InChICode InChI=1S/C19H22O5/c1-13(2)17(24-21)8-4-14(3)10-11-22-16-7-5-15-6-9-19(20)23-18(15)12-16/h5-7,9-10,12,17,21H,1,4,8,11H2,2-3H3/b14-10+/t17-/m1/s1
SMILES c12c(oc(=O)cc1)cc(cc2)OC/C=C(/CC[C@@H](OO)C(=C)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhebalium tuberculosum ssp. megaphyllum Ref.
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