(Q105375700)

English

(2S,3S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

flavanone

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mass

596.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₅

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canonical SMILES

O=C1C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2OC(C4=CC=C(O)C(O)=C4)C1OC5OC(C)C(O)C(O)C5O

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isomeric SMILES

C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)C3=O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Hypericum japonicum

1 reference

stated in

Chromone glycosides and flavonoids from hypericum japonicum

Identifiers

InChI

InChI=1S/C27H32O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-32,34-37H,1-2H3/t8-,9+,17-,18-,20+,21+,22-,23-,24-,25+,26-,27-/m0/s1

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InChIKey

ZHFNLCIPRZUPFK-CJVFSKMDSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105375700)

(2S,3S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one

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Identifiers

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