(Q105210665)

English

4-O,6-O-(4,4',5,5',6,6'-Hexahydroxybiphenyl-2,2'-diyldicarbonyl)-beta-D-glucopyranose 1-(4-hydroxy-trans-cinnamate)

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

628.106434688 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₄O₁₆

0 references

canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(O)C1O)C=CC5=CC=C(O)C=C5

0 references

isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O

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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/C29H24O16/c30-11-4-1-10(2-5-11)3-6-17(33)44-29-25(39)24(38)26-16(43-29)9-42-27(40)12-7-14(31)20(34)22(36)18(12)19-13(28(41)45-26)8-15(32)21(35)23(19)37/h1-8,16,24-26,29-32,34-39H,9H2/b6-3+/t16-,24-,25-,26-,29+/m1/s1

0 references

InChIKey

PKUIQPGQNIMHEJ-NZEUXYHASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

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