input word = C00059732

Metabolite InformationStructural formula
Name 7-[[6-O-(2-Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C24H22O14
Mw 534.10095541
CAS RN 1359866-00-4
C_ID C00059732
InChIKey FIVFPODHFQLHTO-ZQIGZIPLSA-N
InChICode InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)23-21(33)19(31)17-12(26)5-11(6-13(17)37-23)36-24-22(34)20(32)18(30)14(38-24)8-35-16(29)7-15(27)28/h1-6,14,18,20,22,24-26,30,32-34H,7-8H2,(H,27,28)/t14-,18-,20+,22-,24-/m1/s1
SMILES O=C(O)CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismRaphanus sativus
Referencehttps://doi.org/10.1016/j.foodres.2014.04.046