Met002462: Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside

Metabolite Information

Name

Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside

IUPAC Name

[(2S,3R,5R)-3,4-diacetyloxy-5-[[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]oxolan-2-yl]methyl acetate

Molecular Formula

C32H34O18

Molecular Weight

706.6

Exact Mass

706.1745142

SMILES

CC(=O)OCC1C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)OC(=O)C)OC(=O)C

InChIKey

GNUSJIOAQXUIRK-WAINSCOPSA-N

InChI

InChI=1S/C32H34O18/c1-12(33)43-11-21-28(45-13(2)34)30(46-14(3)35)32(49-21)44-10-20-23(39)25(41)26(42)31(48-20)50-29-24(40)22-18(38)8-17(37)9-19(22)47-27(29)15-4-6-16(36)7-5-15/h4-9,20-21,23,25-26,28,30-32,36-39,41-42H,10-11H2,1-3H3/t20?,21-,23+,25?,26?,28+,30?,31-,32+/m0/s1