(Q105154761)

English

[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

O-glucuronyl quercetin

1 reference

based on heuristic

inferred from SMILES

mass

478.074740636 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₁₈O₁₃

0 references

canonical SMILES

O=C(OC=1C(=O)C=2C(O)=CC(O)=CC2OC1C=3C=CC(O)=C(O)C3)C4OC(O)C(O)C(O)C4O

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isomeric SMILES

O=C(Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Anethum graveolens

1 reference

stated in

9-Hydroxypiperitone beta-D-glucopyranoside and other polar constituents from dill (Anethum graveolens L.) herb

Eucalyptus cypellocarpa

1 reference

stated in

Cypellocarpins A-C, phenol glycosides esterified with oleuropeic acid, from Eucalyptus cypellocarpa

Identifiers

InChI

InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21(31)19-15(28)14(27)16(29)20(30)34-19/h1-5,14-16,19-20,22-25,27-30H/t14-,15-,16+,19-,20+/m0/s1

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InChIKey

LOJXBHNAFUDMIQ-RQOBALISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOJXBHNAFUDMIQ-RQOBALISSA-N

(Q105154761)

[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

Statements

Identifiers

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