input word = C00063286

Metabolite InformationStructural formula
Name (+)-3-[1a-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-7-oxo-7H-oxireno[b][1]benzopyran-7a(1aH)-yl]-2,4,6-trihydroxy-alpha-oxo-benzeneacetic acid, methyl ester
Formula C24H16O13
Mw 512.0590906
CAS RN 886847-81-0
C_ID C00063286
InChIKey KMXKPPNRVRZIAJ-UHFFFAOYNA-N
InChICode InChI=1/C24H16O13/c1-35-22(34)20(32)17-13(29)7-14(30)18(19(17)31)23-21(33)16-12(28)5-9(25)6-15(16)36-24(23,37-23)8-2-3-10(26)11(27)4-8/h2-7,25-31H,1H3
SMILES COC(=O)C(=O)c1c(O)cc(O)c(C23OC2(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C3=O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
zoom in