(Q105149981)

English

(2R)-8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

(2S)-8-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

1 reference

based on heuristic

inferred from SMILES

mass

580.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₁₄

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canonical SMILES

O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1)C4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](c3c(O)cc(O)c4c3O[C@@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Eriobotrya japonica

1 reference

stated in

Polyphenols from Eriobotrya japonica and their cytotoxicity against human oral tumor cell lines

Identifiers

InChI

InChI=1S/C27H32O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-6,9,15-16,19-23,25-31,33-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1

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InChIKey

LCTOQECBRZFOCD-MXWZVQRBSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105149981)

(2R)-8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

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