(Q113948579)

English

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

Kaempferol 3-alpha-D-galactoside

1 reference

based on heuristic

inferred from SMILES

mass

448.1005614599998 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

Trifolin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

kaempferol 3-O-alpha-L-glucopyranoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

kaempferol 3-O-beta-L-glucopyranoside

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

kaempferol 3-O-beta-D-allopyranoside

1 reference

1 reference

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₁

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O

1 reference

based on heuristic

inferred from SMILES

Identifiers

InChI

InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

JPUKWEQWGBDDQB-PRPRGGMHSA-N

0 references

LIPID MAPS ID

LMPK12111662

0 references

(Q113948579)

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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