Petunidin 3-(6''-acetylglucoside)
IUPAC 名称
3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
描述
Petunidin 3-o-(acetylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Petunidin 3-o-(acetylglucoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Petunidin 3-o-(acetylglucoside) can be found in a number of food items such as summer grape, common grape, rubus (blackberry, raspberry), and grape wine, which makes petunidin 3-o-(acetylglucoside) a potential biomarker for the consumption of these food products. Petunidin 3-o-(acetylglucoside) may be a unique S.cerevisiae (yeast) metabolite.
异构
[H][C@]1(COC(C)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(OC)=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChI标识符
InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18-,20-,21+,22-,24-/m1/s1
键
GPUBWXUQPURXOQ-BKSKZGTRSA-O