input word = C00004641

Metabolite InformationStructural formula
Name Quercetin 5,3'-dimethyl ether
3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one
Formula C17H14O7
Mw 330.0739528
CAS RN 40554-94-7
C_ID C00004641 ,
InChIKey NKJWZTPASPJYBA-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O7/c1-22-11-5-8(3-4-10(11)19)17-16(21)15(20)14-12(23-2)6-9(18)7-13(14)24-17/h3-7,18-19,21H,1-2H3
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeHeliotropium stenophyllum Ref.
PlantaeCistaceaeCistus laurifolius Ref.
PlantaeFabaceaeMedicago x varia Ref.
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OrganismHeliotropium stenophyllum
ReferenceUrzua,Soc.Chil.Quim.,45,(2000),23