(Q104985369)

English

2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6S)-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

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

1 reference

based on heuristic

inferred from SMILES

2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

478.111126144 dalton

1 reference

1 reference

C₂₂H₂₂O₁₂

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canonical SMILES

O=C1C=C(OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C(O)C12)C=4C=CC(O)=C(O)C4

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isomeric SMILES

COc1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O

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found in taxon

Centaurea bracteata

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stated in

A flavonoid sulphate and other compounds from the roots of Centaurea bracteata

Inula britannica

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stated in

Acylated flavonol glycosides from the flower of Inula britannica

Salvia plebeia

1 reference

stated in

Polyphenolics of Salvia--a review

Salvia tomentosa

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stated in

Polyphenolics of Salvia--a review

Salvia officinalis

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stated in

Polyphenolics of Salvia--a review

Identifiers

InChI

InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17+,19-,20+,22+/m0/s1

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InChIKey

DMXHXBGUNHLMQO-UEZRVHFLSA-N

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1 reference

26 December 2021

(Q104985369)

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

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