(Q113534159)

English

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,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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1 reference

448.10056145999977 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₀O₁₁

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canonical SMILES

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O

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Identifiers

InChI

InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1

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InChIKey

KBGKQZVCLWKUDQ-OBJCFNGXSA-N

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PubChem CID

163014046

1 reference

matched by identifier from

InChIKey

KBGKQZVCLWKUDQ-OBJCFNGXSA-N

LIPID MAPS ID

LMPK12110638

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(Q113534159)

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

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