(Q105184658)

English

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[(E)-3-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]phenoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)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

666.179599628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₄O₁₇

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canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=CC(=O)OC3OC(CO)C(O)C(O)C3O)C=C2O)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)cc2O)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Clematis tashiroi

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stated in

Antioxidant and Anti-Inflammatory Phenolic Glycosides from Clematis tashiroi

Identifiers

InChI

InChI=1S/C30H34O17/c31-11-19-23(37)25(39)28(42)30(45-19)47-22(36)8-4-14-2-6-18(17(34)10-14)44-29-27(41)26(40)24(38)20(46-29)12-43-21(35)7-3-13-1-5-15(32)16(33)9-13/h1-10,19-20,23-34,37-42H,11-12H2/b7-3+,8-4+/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30+/m1/s1

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InChIKey

NRNLHCNVJHJROX-SKXWEYSTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NRNLHCNVJHJROX-SKXWEYSTSA-N

1 reference

(Q105184658)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[(E)-3-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl]phenoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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