(Q104956246)

English

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

462.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₁₁

0 references

canonical SMILES

O=C1C=C(OC2=C1C(OC)=CC(O)=C2C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=C(O)C4

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isomeric SMILES

COc1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(-c3ccc(O)c(O)c3)cc(=O)c12

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found in taxon

Parkinsonia aculeata

1 reference

stated in

C-glycosides of the leaves of parkinsonia aculeata

Identifiers

InChI

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

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InChIKey

CEZSSSKWSMJSKP-PGPONNFDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEZSSSKWSMJSKP-PGPONNFDSA-N

1 reference

1 reference

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

retrieved

15 January 2022

InChIKey

CEZSSSKWSMJSKP-PGPONNFDSA-N

(Q104956246)

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

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