(Q105027351)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkyl caffeate ester

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mass

650.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₄O₁₆

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canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=CC(=O)OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Clematis tashiroi

1 reference

stated in

Antioxidant and Anti-Inflammatory Phenolic Glycosides from Clematis tashiroi

Identifiers

InChI

InChI=1S/C30H34O16/c31-12-19-23(36)25(38)28(41)30(44-19)46-22(35)10-4-14-1-6-16(7-2-14)43-29-27(40)26(39)24(37)20(45-29)13-42-21(34)9-5-15-3-8-17(32)18(33)11-15/h1-11,19-20,23-33,36-41H,12-13H2/b9-5+,10-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1

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InChIKey

HFIRFUKEPOQTLQ-KTFGOVRASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HFIRFUKEPOQTLQ-KTFGOVRASA-N

1 reference

(Q105027351)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]prop-2-enoate

Statements

Identifiers

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