(Q105340488)

English

8-[(2-O-Sulfo-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

556.05229094 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₁₅S

0 references

canonical SMILES

O=C(O)C1OC(OC2=C(O)C=C(O)C=3C(=O)C=C(OC23)C=4C=CC(OC)=CC4)C(OS(=O)(=O)O)C(O)C1O

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4OS(=O)(=O)O)c3o2)cc1

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found in taxon

Helicteres angustifolia

1 reference

stated in

New Flavoid Glycosides of Helicteres angustifolia

Helicteres isora

1 reference

stated in

Flavonoid glucuronides from Helicteres isora

Identifiers

InChI

InChI=1S/C22H20O15S/c1-33-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)17(18(14)34-13)35-22-20(37-38(30,31)32)16(27)15(26)19(36-22)21(28)29/h2-7,15-16,19-20,22-23,25-27H,1H3,(H,28,29)(H,30,31,32)/t15-,16-,19-,20+,22+/m0/s1

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InChIKey

XRHYTEAKTRSKAB-LQKXZRDHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRHYTEAKTRSKAB-LQKXZRDHSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

XRHYTEAKTRSKAB-LQKXZRDHSA-N

(Q105340488)

8-[(2-O-Sulfo-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

Statements

Identifiers

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