(Q105385258)

English

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

acacetin 7-glucuronide

1 reference

based on heuristic

inferred from SMILES

3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

460.10056146 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₀O₁₁

0 references

canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(OC)=CC4)C(O)C(O)C1O

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)cc(O[C@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

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found in taxon

Tripora divaricata

1 reference

stated in

Scutellarein 4'-methyl ether glycosides as taxonomic markers in Teucridium and Tripora (Lamiaceae, Ajugoideae).

Identifiers

InChI

InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)14-8-13(24)16-12(23)6-11(7-15(16)32-14)31-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22-/m0/s1

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InChIKey

ZWVNKIJIVBIMSW-OTVISBKVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZWVNKIJIVBIMSW-OTVISBKVSA-N

(Q105385258)

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Statements

Identifiers

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