input word = C00013544

Metabolite InformationStructural formula
Name (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Formula C22H20O8
Mw 412.11581762
CAS RN 221231-21-6
C_ID C00013544 ,
InChIKey ODAKJIXAIBHVIC-VZUCSPMQSA-N
InChICode InChI=1S/C22H20O8/c1-5-11(2)22(26)30-21-16(25)19(27-3)14(23)13-15(24)20(28-4)17(29-18(13)21)12-9-7-6-8-10-12/h5-10,23,25H,1-4H3/b11-5+
SMILES c12c(oc(c(c1=O)OC)c1ccccc1)c(c(c(c2O)OC)O)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePseudognaphalium cheiranthifolium Ref.
PlantaeAsteraceaePseudognaphalium robustum Ref.
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OrganismPseudognaphalium cheiranthifolium
ReferenceUrzua,J.Nat.Prod.,62,(1999),381