(Q105226708)

English

[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

584.116605448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₄O₁₄

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C2=C(O)C=C3OC(=CC(=O)C3=C2O)C=4C=CC(O)=CC4)CO)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

O=C(O[C@H]1[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

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found in taxon

Pelargonium reniforme

2 references

stated in

O-Galloyl-C-glycosylflavones from Pelargonium reniforme

stated in

O-Galloyl-C-glycosylflavones from Pelargonium reniforme

Terminalia catappa

2 references

stated in

Flavonoid Glycosides fromTerminalia catappaL.

stated in

Flavonoid Glycosides fromTerminalia catappaL.

Cladogynos orientalis

1 reference

stated in

Aromatic diglycosides from Cladogynos orientalis

Identifiers

InChI

InChI=1S/C28H24O14/c29-9-19-23(36)25(38)27(42-28(39)11-5-15(33)22(35)16(34)6-11)26(41-19)21-14(32)8-18-20(24(21)37)13(31)7-17(40-18)10-1-3-12(30)4-2-10/h1-8,19,23,25-27,29-30,32-38H,9H2/t19-,23-,25+,26+,27-/m1/s1

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InChIKey

QRWNUPSQVOBESO-NSSNTOQXSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QRWNUPSQVOBESO-NSSNTOQXSA-N

1 reference

(Q105226708)

[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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