(Q105030421)

English

1-O-(3,4-Dihydroxy-trans-cinnamoyl)-4-O,6-O-[[(aS)-4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl]biscarbonyl]-beta-D-glucopyranose

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-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

644.101349308 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(10S,11R,12R,13S,15S)-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-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(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-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₄O₁₇

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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(O)=C5

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)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/C29H24O17/c30-12-3-1-9(5-13(12)31)2-4-17(34)45-29-25(40)24(39)26-16(44-29)8-43-27(41)10-6-14(32)20(35)22(37)18(10)19-11(28(42)46-26)7-15(33)21(36)23(19)38/h1-7,16,24-26,29-33,35-40H,8H2/b4-2+/t16-,24-,25-,26-,29+/m1/s1

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InChIKey

HLZYMQVTDCUYPD-KRGFGPISSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105030421)

1-O-(3,4-Dihydroxy-trans-cinnamoyl)-4-O,6-O-[[(aS)-4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl]biscarbonyl]-beta-D-glucopyranose

Statements

Identifiers

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