(Q105006605)

English

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

816.21129368 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[2-O-[6-O-(3,5-Dimethoxy-4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]-beta-D-galactopyranosyloxy]-4',5,7-trihydroxyflavone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₀O₂₀

0 references

canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)CO)C(O)C(O)C1O)C=CC6=CC(OC)=C(O)C(OC)=C6

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)O[C@@H](CO)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O

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found in taxon

Thevetia peruviana

1 reference

stated in

Flavonol sinapoyl glycosides from leaves of Thevetia peruviana

Identifiers

InChI

InChI=1S/C38H40O20/c1-51-21-9-15(10-22(52-2)27(21)44)3-8-25(43)53-14-24-29(46)31(48)33(50)37(56-24)58-36-32(49)28(45)23(13-39)55-38(36)57-35-30(47)26-19(42)11-18(41)12-20(26)54-34(35)16-4-6-17(40)7-5-16/h3-12,23-24,28-29,31-33,36-42,44-46,48-50H,13-14H2,1-2H3/b8-3+/t23-,24+,28-,29+,31-,32-,33+,36+,37-,38-/m0/s1

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InChIKey

GCZWMUSXVIZQRI-WQSFEPDJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105006605)

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Statements

Identifiers

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