input word = C00013527

Metabolite InformationStructural formula
Name 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
Formula C22H22O7
Mw 398.13655306
CAS RN 443729-38-2
C_ID C00013527 ,
InChIKey GNVQLNWJZAHMQS-UHFFFAOYSA-N
InChICode InChI=1S/C22H22O7/c1-12(2)7-8-28-14-10-16(24)19-18(11-14)29-21(22(27-4)20(19)25)13-5-6-17(26-3)15(23)9-13/h5-7,9-11,23-24H,8H2,1-4H3
SMILES c12c(oc(c(c1=O)OC)c1cc(c(cc1)OC)O)cc(cc2O)OCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMelicope elleryana Ref.
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OrganismMelicope elleryana
ReferenceWang,Aust.J.Chem.,54,(2001),739