(Q105184071)

English

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

608.137734816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₁₆

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canonical SMILES

O=C(O)C1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(OC5OC(C)C(O)C(O)C5O)C(O)C1O

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Alchemilla speciosa

1 reference

stated in

Flavonoid glycosides from Alchemilla speciosa

Diospyros cathayensis

1 reference

stated in

Flavonol glycosides in leaves of two Diospyros species

Hedychium coronarium

1 reference

stated in

Medicinal flowers. XXIV. Chemical structures and hepatoprotective effects of constituents from flowers of Hedychium coronarium

Identifiers

InChI

InChI=1S/C27H28O16/c1-8-15(31)17(33)20(36)26(39-8)43-24-19(35)18(34)23(25(37)38)42-27(24)41-22-16(32)14-12(30)6-11(29)7-13(14)40-21(22)9-2-4-10(28)5-3-9/h2-8,15,17-20,23-24,26-31,33-36H,1H3,(H,37,38)/t8-,15-,17+,18-,19-,20+,23-,24+,26-,27+/m0/s1

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InChIKey

NQSVMEYOIVETBP-FQMUDZMSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105184071)

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid

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Identifiers

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