input word = C00019892

Metabolite InformationStructural formula
Name (E)-8-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)psoralen
Formula C21H22O6
Mw 370.14163844
CAS RN 151121-39-0
C_ID C00019892 ,
InChIKey ILYZUSHBLPOZIC-URGWBJJLNA-N
InChICode InChI=1S/C21H22O6/c1-13(2)17(27-23)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(22)26-20(15)21/h5,7-9,11-12,17,23H,1,4,6,10H2,2-3H3/b14-8+/t17-/m0/s1
SMILES c12c(oc(=O)cc1)c(c1c(c2)cco1)OC/C=C(/CC[C@@H](C(=C)C)OO)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhebalium clavatum Ref.
PlantaeRutaceaePhebalium tuberculosum ssp. megaphyllum Ref.
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