Chem
J-GLOBAL ID：201707019529469476   Nikkaji number：J3.639.651B

Petunidin 3-glucoside-5-[6-(malonyl)-glucoside]

ペツニジン3-グルコシド5-[6-(マロニル)グルコシド]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H35O19[O+]
Molecular formula furigana： C31-H35-O20
Molecular weight： 727.600
InChI： InChI=1S/C31H34O20/c1-45-16-3-10(2-13(34)22(16)38)29-17(49-31-27(43)25(41)23(39)18(8-32)50-31)6-12-14(47-29)4-11(33)5-15(12)48-30-28(44)26(42)24(40)19(51-30)9-46-21(37)7-20(35)36/h2-6,18-19,23-28,30-32,39-44H,7-9H2,1H3,(H3-,33,34,35,36,38)/p+1/t18-,19-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1
InChI key： QTJOLANHMMCVHN-ZDMNWCQHSA-O
SMILES： COc1cc(cc(O)c1O)c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(3,4-ジヒドロキシ-5-メトキシフェニル)-5-[6-O-(カルボキシアセチル)-β-D-グルコピラノシルオキシ]-7-ヒドロキシ-3-(β-D-グルコピラノシルオキシ)-1-ベンゾピリリウム
  • 5-{[(2S,3R,4S,5S,6R)-6-{[(2-カルボキシアセチル)オキシ]メチル}-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-2-(3,4-ジヒドロキシ-5-メトキシフェニル)-7-ヒドロキシ-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 5-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (3)：
  • 2-(3,4-Dihydroxy-5-methoxyphenyl)-5-[6-O-(carboxyacetyl)-β-D-glucopyranosyloxy]-7-hydroxy-3-(β-D-glucopyranosyloxy)-1-benzopyrylium
  • ペツニジン3-グルコシド5-[6-(マロニル)グルコシド]
  • Petunidin 3-glucoside-5-[6-(malonyl)-glucoside]
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM