(Q105112207)

English

[(3S,5S,6R)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

group of stereoisomers with the chemical formula C₂₈H₂₆O₁₄

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Statements

instance of

group of stereoisomers

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1 reference

586.132255512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₆O₁₄

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canonical SMILES

O=C(OCC1OC(OC2C(=O)C=3C(O)=CC(O)=CC3OC2C4=CC=C(O)C(O)=C4)C(O)C(O)C1O)C5=CC=C(O)C=C5

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isomeric SMILES

O=C(OCC1O[C@H](OC2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)[C@@H](O)C(O)[C@@H]1O)c1ccc(O)cc1

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found in taxon

Schinus molle

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stated in

Antioxidant flavonol glycosides from Schinus molle

Identifiers

InChI

InChI=1S/C28H26O14/c29-13-4-1-11(2-5-13)27(38)39-10-19-21(34)23(36)24(37)28(41-19)42-26-22(35)20-17(33)8-14(30)9-18(20)40-25(26)12-3-6-15(31)16(32)7-12/h1-9,19,21,23-26,28-34,36-37H,10H2/t19?,21-,23?,24+,25?,26?,28-/m1/s1

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InChIKey

IFJGZEDRSDXZES-USWJUXOUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFJGZEDRSDXZES-USWJUXOUSA-N

(Q105112207)

[(3S,5S,6R)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

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Identifiers

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