(Q105243477)

English

[(10R,11R,12R,13R,15R)-3,4,5,12,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3,4,5,12,13,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl) 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

634.080613864 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-O,6-O-(2,2',3,3',4,4'-Hexahydroxybiphenyl-6,6'-diylbiscarbonyl)-3-O-(3,4,5-trihydroxybenzoyl)-alpha-D-glucopyranose

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂O₁₈

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canonical SMILES

O=C1OCC2OC(O)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C4=CC(O)=C(O)C(O)=C4C=5C(O)=C(O)C(O)=CC15

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isomeric SMILES

O=C(O[C@@H]1[C@@H](O)[C@H](O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]21)c1cc(O)c(O)c(O)c1

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found in taxon

Balanophora japonica

1 reference

stated in

Caffeoyl, coumaroyl, galloyl, and hexahydroxydiphenoyl glucoses from Balanophora japonica.

Identifiers

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(38)45-23-21(37)27(41)43-13-5-42-25(39)7-3-11(30)17(33)19(35)14(7)15-8(26(40)44-22(13)23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-37,41H,5H2/t13-,21-,22-,23-,27-/m1/s1

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InChIKey

RQOWLXQAJIAZMF-QSFYXSJJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105243477)

[(10R,11R,12R,13R,15R)-3,4,5,12,13,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

Statements

Identifiers

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