(Q105176924)

English

Quercetin 3-(6''-malonyl-glucoside)

group of stereoisomers with the chemical formula C₂₄H₂₂O₁₅

In more languages

Statements

group of stereoisomers

0 references

1 reference

550.095870004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₂O₁₅

0 references

canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

0 references

Adiantum capillus-veneris

1 reference

Kaempferol 3-sulphate in the fern Adiantum capillus-veneris

Identifiers

InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)

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NBQPHANHNTWDML-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

SCHEMBL26835617

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NBQPHANHNTWDML-UHFFFAOYSA-N

SCHEMBL26835656

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NBQPHANHNTWDML-UHFFFAOYSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-RIKEN-PR309239

1 reference

NBQPHANHNTWDML-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

MSBNK-RIKEN-PR310913

1 reference

NBQPHANHNTWDML-UHFFFAOYSA-N

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

based on heuristic

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

NBQPHANHNTWDML-UHFFFAOYSA-N

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