input word = C00019897

Metabolite InformationStructural formula
Name (E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Formula C21H22O5
Mw 354.14672381
CAS RN 144398-34-5
C_ID C00019897 ,
InChIKey YOQCKFCFAJIRRT-OVXNXNIRSA-N
InChICode InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
SMILES c12c(oc(=O)cc1)c(c1c(c2)cco1)OC/C=C(/C/C=C/C(C)(C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhebalium tuberculosum ssp. megaphyllum Ref.
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OrganismPhebalium tuberculosum ssp. megaphyllum
ReferenceRashid,J. Nat. Prod.,55,(1992),851