(Q105286031)

English

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(-)-Maackiain 3-O-glucoside

1 reference

based on heuristic

inferred from SMILES

mass

446.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol

1 reference

1 reference

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

VGSYCWGXBYZLLE-KGHUZNDQSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₁₀

0 references

canonical SMILES

OCC1OC(OC2=CC=C3C(OCC4C5=CC=6OCOC6C=C5OC34)=C2)C(O)C(O)C1O

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isomeric SMILES

OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2c4cc5c(cc4O[C@H]32)OCO5)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Ononis vaginalis

1 reference

stated in

Phenolic constituents of Ononis vaginalis roots

Megaselia flavescens

1 reference

stated in

Anti-Inflammatory and antiproliferative activities of trifolirhizin, a flavonoid from Sophora flavescens roots

Sophora flavescens

1 reference

stated in

Anti-Inflammatory and antiproliferative activities of trifolirhizin, a flavonoid from Sophora flavescens roots

Thermopsis lupinoides

1 reference

stated in

Isoflavonoids in the roots of Thermopsis fabacea D.C. (Leguminosae).

Thermopsis californica

1 reference

stated in

Isoflavonoids in the roots of Thermopsis fabacea D.C. (Leguminosae).

Thermopsis lanceolata

1 reference

stated in

Isoflavonoids in the roots of Thermopsis fabacea D.C. (Leguminosae).

Identifiers

InChI

InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17-,18-,19+,20-,21-,22-/m1/s1

0 references

InChIKey

VGSYCWGXBYZLLE-WFFYVNQPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGSYCWGXBYZLLE-WFFYVNQPSA-N

1 reference

1 reference

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

retrieved

15 January 2022

InChIKey

VGSYCWGXBYZLLE-WFFYVNQPSA-N

(Q105286031)

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol

Statements

Identifiers

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