(Q105134570)

English

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-{[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

group of stereoisomers with the chemical formula C₂₂H₂₂O₁₁

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Statements

group of stereoisomers

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1 reference

462.1162115239998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₂₂O₁₁

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canonical SMILES

O=C1C=C(OC=2C=C(OC)C(OC3OC(CO)C(O)C(O)C3O)=C(O)C12)C=4C=CC(O)=CC4

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isomeric SMILES

COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O

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Identifiers

InChI=1S/C22H22O11/c1-30-14-7-13-16(11(25)6-12(31-13)9-2-4-10(24)5-3-9)18(27)21(14)33-22-20(29)19(28)17(26)15(8-23)32-22/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15?,17-,19+,20?,22+/m1/s1

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JSUJHPSAVAWXEN-CIIGYETHSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JSUJHPSAVAWXEN-CIIGYETHSA-N

UniChem compound ID

1 reference

1 reference

JSUJHPSAVAWXEN-CIIGYETHSA-N

17 April 2021

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

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