(Q105290118)

English

[(2S,3R,4R,5S,6S)-6-[(2S,3R)-3-(3,4-dihydroxyphenyl)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[3-(3,4-Dihydroxyphenyl)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

538.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₁₃

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canonical SMILES

O=C(OCC1OC(OCC(O)C(O)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O)C=CC3=CC=C(O)C(OC)=C3

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@@H]2O[C@H](OC[C@H](O)[C@H](O)c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O

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found in taxon

Euryops arabicus

1 reference

stated in

Transformation products of furoeremophilanes and other constituents from Euryops arabicus

Identifiers

InChI

InChI=1S/C25H30O13/c1-35-18-8-12(2-5-15(18)27)3-7-20(30)36-11-19-22(32)23(33)24(34)25(38-19)37-10-17(29)21(31)13-4-6-14(26)16(28)9-13/h2-9,17,19,21-29,31-34H,10-11H2,1H3/b7-3+/t17-,19-,21+,22-,23+,24-,25-/m0/s1

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InChIKey

VOCXWBLGPXICCY-POOMINTPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VOCXWBLGPXICCY-POOMINTPSA-N

(Q105290118)

[(2S,3R,4R,5S,6S)-6-[(2S,3R)-3-(3,4-dihydroxyphenyl)-2,3-dihydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Identifiers

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