(Q105256498)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[4-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

578.16355564 dalton

1 reference

1 reference

C₂₇H₃₀O₁₄

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canonical SMILES

O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)=CC3

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](Oc3ccc(-c4coc5cc(O)cc(O)c5c4=O)cc3)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

Styphnolobium japonicum

2 references

stated in

The structure of sophorabiose.

stated in

Flavonol tetraglycosides and other constituents from leaves of Styphnolobium japonicum (Leguminosae) and related taxa

Identifiers

InChI

InChI=1S/C27H30O14/c1-10-19(31)22(34)24(36)26(38-10)41-25-23(35)21(33)17(8-28)40-27(25)39-13-4-2-11(3-5-13)14-9-37-16-7-12(29)6-15(30)18(16)20(14)32/h2-7,9-10,17,19,21-31,33-36H,8H2,1H3/t10-,17-,19-,21-,22+,23+,24-,25-,26-,27-/m0/s1

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InChIKey

SNJVNAXLTOIYQN-CWBZKLBCSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105256498)

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

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Identifiers

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