Met002579: Padmatin 5-glucoside

Metabolite Information

Name

Padmatin 5-glucoside

IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-3-hydroxy-7-methoxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Molecular Formula

C22H24O12

Molecular Weight

480.4

Exact Mass

480.1267762

SMILES

COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C(C(O2)C4=CC(=C(C=C4)O)O)O

InChIKey

QHEZEIJUHUFOEE-YROHDQMXSA-N

InChI

InChI=1S/C22H24O12/c1-31-9-5-12-15(13(6-9)33-22-20(30)18(28)16(26)14(7-23)34-22)17(27)19(29)21(32-12)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-26,28-30H,7H2,1H3/t14-,16+,18-,19-,20+,21+,22+/m0/s1