(Q105283554)

English

patuletin 3-glucuronide

group of stereoisomers with the chemical formula C₂₂H₂₀O₁₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

508.08530532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₁₄

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canonical SMILES

O=C(O)C1OC(OC=2C(=O)C3=C(O)C(OC)=C(O)C=C3OC2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

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isomeric SMILES

COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)C(O)C3O)c(=O)c2c1O

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found in taxon

Arnica sachalinensis

1 reference

stated in

Flavonoids of Arnica sachalinensis, subgenus Andropurpurea

Identifiers

InChI

InChI=1S/C22H20O14/c1-33-18-9(25)5-10-11(12(18)26)13(27)19(17(34-10)6-2-3-7(23)8(24)4-6)35-22-16(30)14(28)15(29)20(36-22)21(31)32/h2-5,14-16,20,22-26,28-30H,1H3,(H,31,32)/t14?,15-,16?,20-,22+/m0/s1

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InChIKey

VBYFRNFQCXODLK-RKOWQZNSSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

VBYFRNFQCXODLK-RKOWQZNSSA-N

17 April 2021

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

(Q105283554)

patuletin 3-glucuronide

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Identifiers

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