(Q105211094)

English

[(2S)-2-(4-Hydroxyphenyl)-4-oxo-5-hydroxy-2,3-dihydro-4H-1-benzopyran]-7-yl 6-O-(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

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

6''-p-Coumaroylprunin

1 reference

based on heuristic

inferred from SMILES

(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

580.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₈O₁₂

0 references

canonical SMILES

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

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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](O)[C@@H]1O

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found in taxon

Mabea fistulifera

1 reference

stated in

A bioactive naringenin coumaroyl glucoside from Mabea fistulifera subsp. robusta

Phlomis aurea

1 reference

stated in

Flavonoids of Phlomis aurea and P. floccosa

Phyllanthus emblica

1 reference

stated in

Two new acylated flavanone glycosides from the leaves and branches of Phyllanthus emblica

Ricinus communis

1 reference

stated in

Acylated flavanone glycosides fromRicinus communis

Identifiers

InChI

InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28-,29+,30+/m0/s1

0 references

InChIKey

PLORCKNHUZJPKH-AVNPKAOGSA-N

0 references

CAS Registry Number

96686-70-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PLORCKNHUZJPKH-AVNPKAOGSA-N

1 reference

1 reference

matched by identifier from

InChIKey

PLORCKNHUZJPKH-AVNPKAOGSA-N

(Q105211094)

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

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Identifiers

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