(Q27262578)

Isorhamnetin 3-glucuronide (English)

14 October 2016

chemical formula

C₂₂H₂₀O₁₃

1 reference

Isorhamnetin 3-glucuronide (English)

14 October 2016

canonical SMILES

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O

1 reference

Isorhamnetin 3-glucuronide (English)

14 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O

1 reference

Identification and quantification of phenolic compounds in berries of Fragaria and Rubus species (family Rosaceae).

Isorhamnetin 3-glucuronide (English)

14 October 2016

1 reference

Rubus chamaemorus

1 reference

Identification and quantification of phenolic compounds in berries of Fragaria and Rubus species (family Rosaceae).

Rubus idaeus

1 reference

Identification and quantification of phenolic compounds in berries of Fragaria and Rubus species (family Rosaceae).

peanut

1 reference

Spermidine and flavonoid conjugates from peanut (Arachis hypogaea) flowers

Bellis perennis

1 reference

Medicinal flowers. XXI. Structures of perennisaponins A, B, C, D, E, and F, acylated oleanane-type triterpene oligoglycosides, from the flowers of Bellis perennis

Coleogyne ramosissima

1 reference

Flavonoid and benzophenone glycosides from Coleogyne ramosissima

Persicaria salicifolia

1 reference

Antioxidant flavonoids from leaves of Polygonum hydropiper L.

Nelumbo nucifera

1 reference

Simultaneous analysis of anthocyanin and non-anthocyanin flavonoid in various tissues of different lotus (Nelumbo) cultivars by HPLC-DAD-ESI-MS(n)

Persicaria decipiens

1 reference

Antioxidant flavonoids from leaves of Polygonum hydropiper L.

Foeniculum vulgare

1 reference

Separation and characterization of phenolic compounds in fennel (Foeniculum vulgare) using liquid chromatography-negative electrospray ionization tandem mass spectrometry.

Persicaria lapathifolia

1 reference

Antioxidant flavonoids from leaves of Polygonum hydropiper L.

Identifiers

InChI

InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

1 reference

Isorhamnetin 3-glucuronide (English)

14 October 2016

1 reference

Global Substance Registration System

Isorhamnetin 3-glucuronide (English)

14 October 2016

2 references

UNII

5MZB5M8D8L

isorhamnetin-3-glucuronide (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=36687-76-0

9 April 2021

1 reference

Isorhamnetin beta-D-glucuronide (English)

14 October 2016

2 references

Isorhamnetin 3-glucuronide (English)

14 October 2016

ChEBI ID

189739

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

1 reference

MassBank accession ID

MSBNK-RIKEN_ReSpect-PM000330

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

splash10-11vl-0999400000-3f17016dc4725c4ca5d4

0 references

splash10-0vw0-0449000000-dc5d43fde6174eaf9930

0 references

splash10-0vi6-0009400000-867a30b4b4ec792cff3f

0 references

DSSTox substance ID

DTXSID70957931

1 reference

DSSTOX compound identifier

DTXCID601385855

0 references

Human Metabolome Database ID

HMDB0240536

2 references

based on heuristic

inferred from InChIKey

UNII

5MZB5M8D8L

2 references

Global Substance Registration System

UNII

5MZB5M8D8L

isorhamnetin-3-glucuronide (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

1 reference

15 January 2022