input word = C00004689

Metabolite InformationStructural formula
Name Spinacetin
3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone
Quercetagetin 3',6-dimethyl ether
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
Formula C17H14O8
Mw 346.06886743
CAS RN 3153-83-1
C_ID C00004689 ,
InChIKey XWIDINOKCRFVHQ-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O8/c1-23-10-5-7(3-4-8(10)18)16-15(22)13(20)12-11(25-16)6-9(19)17(24-2)14(12)21/h3-6,18-19,21-22H,1-2H3
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OC)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis tinctoria Ref.
PlantaeAsteraceaeArnica spp. Ref.
PlantaeAsteraceaeBalsamorhiza sagittata Ref.
PlantaeAsteraceaeBrickellia californica Ref.
PlantaeAsteraceaeDecachaeta haenkeana Ref.
PlantaeAsteraceaeEriophyllum confertiflorum Ref.
PlantaeAsteraceaeGutierrezia spp. Ref.
PlantaeAsteraceaeHazardia squarrosa Ref.
PlantaeAsteraceaeInula viscosa Ref.
PlantaeAsteraceaeTetragonotheca spp. Ref.
PlantaeAsteraceaeWyethia agnorhiza Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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