(Q105348588)

English

[(2S)-2-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-2,3-dihydro-4H-1-benzopyran]-7-yl 3-O,6-O-bis(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranoside

chemical compound

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instance of

type of chemical entity

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subclass of

[3,5-Dihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

726.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₄O₁₄

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canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C4=CC=C(O)C=C4)C(O)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC6=CC=C(O)C=C6

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O

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found in taxon

Mabea caudata

1 reference

stated in

Naringenin coumaroylglucosides from Mabea caudata

Mabea fistulifera

1 reference

stated in

A bioactive naringenin coumaroyl glucoside from Mabea fistulifera subsp. robusta

Identifiers

InChI

InChI=1S/C39H34O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-18,30,32,36-43,47-48H,19-20H2/b15-5+,16-6+/t30-,32+,36+,37+,38-,39+/m0/s1

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InChIKey

YHSNRKOEKHUGSK-LJWNDUNDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YHSNRKOEKHUGSK-LJWNDUNDSA-N

1 reference

(Q105348588)

[(2S)-2-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-2,3-dihydro-4H-1-benzopyran]-7-yl 3-O,6-O-bis(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranoside

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Identifiers

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