(Q105160753)

English

1-O,2-O-Bis[(E)-3,5-dimethoxy-4-hydroxycinnamoyl]-6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranose

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4,5-Dihydroxy-2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

[4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

754.232029124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₁₉

0 references

canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC(=O)C=CC3=CC(OC)=C(O)C(OC)=C3)C=CC4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O

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found in taxon

rapeseed

1 reference

stated in

Formation of a complex pattern of sinapate esters in Brassica napus seeds, catalyzed by enzymes of a serine carboxypeptidase-like acyltransferase family?

Identifiers

InChI

InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)28(41)22(14-49-33-31(44)29(42)27(40)21(13-35)50-33)51-34(32)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/b7-5+,8-6+/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34+/m1/s1

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InChIKey

MBGNTECDWBKCKH-QGDNGYMSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MBGNTECDWBKCKH-QGDNGYMSSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

MBGNTECDWBKCKH-QGDNGYMSSA-N

(Q105160753)

1-O,2-O-Bis[(E)-3,5-dimethoxy-4-hydroxycinnamoyl]-6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranose

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Identifiers

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