(Q110177897)

English

[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-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-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

654.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₀O₁₅

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canonical SMILES

O=C(OCC1OC(OC=2C(=O)C3=C(O)C(OC)=C(O)C=C3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)c(OC)c(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Paepalanthus geniculatus

1 reference

stated in

HPLC-ESIMS(n) profiling, isolation, structural elucidation, and evaluation of the antioxidant potential of phenolics from Paepalanthus geniculatus

Identifiers

InChI

InChI=1S/C32H30O15/c1-42-19-11-14(3-9-17(19)34)4-10-22(36)44-13-21-24(37)27(40)28(41)32(46-21)47-31-26(39)23-20(12-18(35)30(43-2)25(23)38)45-29(31)15-5-7-16(33)8-6-15/h3-12,21,24,27-28,32-35,37-38,40-41H,13H2,1-2H3/b10-4+/t21-,24-,27+,28-,32+/m1/s1

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InChIKey

GULOTKMXYIEWNB-HTCFYHAASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GULOTKMXYIEWNB-HTCFYHAASA-N

1 reference

(Q110177897)

[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-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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