(Q105121915)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

626.1482995 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₁₇

0 references

canonical SMILES

O=C1C=C(OC2=CC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=C(O)C(O)=C12)C=5C=CC(O)=C(O)C5

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isomeric SMILES

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c12

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found in taxon

Lomatogonium carinthiacum

1 reference

stated in

Flavonoid glycosides and a bitter principle from lomatogonium carinthiacum

Identifiers

InChI

InChI=1S/C27H30O17/c28-6-15-19(33)22(36)24(38)26(43-15)40-7-16-20(34)23(37)25(39)27(44-16)42-14-5-13-17(21(35)18(14)32)11(31)4-12(41-13)8-1-2-9(29)10(30)3-8/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24+,25-,26-,27-/m1/s1

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InChIKey

IWVVVMUHPPYDFH-GKCCIPENSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IWVVVMUHPPYDFH-GKCCIPENSA-N

(Q105121915)

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

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