(Q105129648)

English

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

626.1482995 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₇

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canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(O)=C(O)C(O)=C14)C=5C=CC(O)=C(O)C5

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)c(O)c(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Chimarrhis turbinata

1 reference

stated in

New biflavonoid and other flavonoids from the leaves of Chimarrhis turbinata and their antioxidant activities

Identifiers

InChI

InChI=1S/C27H30O17/c1-7-15(31)20(36)22(38)26(41-7)40-6-13-17(33)21(37)23(39)27(43-13)44-25-19(35)14-12(5-11(30)16(32)18(14)34)42-24(25)8-2-3-9(28)10(29)4-8/h2-5,7,13,15,17,20-23,26-34,36-39H,6H2,1H3/t7-,13+,15-,17+,20+,21-,22+,23+,26+,27-/m0/s1

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InChIKey

JJGRMQWUXKVOLM-DBHLLKKXSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105129648)

2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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