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(Q105133556)
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gancaonin A
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavonoid
0 references
6C-substituted isoflavone
1 reference
based on heuristic
inferred from SMILES
mass
352.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₅
0 references
canonical SMILES
O=C1C(=COC2=CC(O)=C(C(O)=C12)CC=C(C)C)C=3C=CC(OC)=CC3
0 references
found in taxon
Glycyrrhiza aspera
2 references
stated in
Four isoprenoid-substituted flavonoids from Glycyrrhiza aspera
stated in
Four New Prenylated Flavonoids from Aerial Parts of Glycyrrhiza uralensis
Glycyrrhiza uralensis
3 references
stated in
Four New Prenylated Flavonoids from Aerial Parts of Glycyrrhiza uralensis
stated in
Four New Prenylated Flavonoids from Aerial Parts of Glycyrrhiza uralensis
stated in
Four isoprenoid-substituted flavonoids from Glycyrrhiza aspera
Lotus creticus
1 reference
stated in
Flavonoids from Lotus creticus
Cullen corylifolium
1 reference
stated in
Simultaneous characterization of prenylated flavonoids and isoflavonoids in Psoralea corylifolia L. by liquid chromatography with diode-array detection and quadrupole time-of-flight mass spectrometry
Cullen corylifolia
1 reference
stated in
Simultaneous characterization of prenylated flavonoids and isoflavonoids in Psoralea corylifolia L. by liquid chromatography with diode-array detection and quadrupole time-of-flight mass spectrometry
Corethrodendron multijugum
1 reference
stated in
Characterization of phenolic compounds in the crude extract of Hedysarum multijugum by high-performance liquid chromatography with electrospray ionization tandem mass spectrometry
Identifiers
InChI
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
0 references
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
0 references
CAS Registry Number
27762-99-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5317478
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
175515
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O5/c1-12(2)4-9-15-17(22)10-18-19(20(15)23)21(24)16(11-26-18)13-5-7-14(25-3)8-6-13/h4-8,10-11,22-23H,9H2,1-3H3
SureChEMBL ID
SCHEMBL572123
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
UniChem compound ID
32013201
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309031
1 reference
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN-PR310755
1 reference
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID001318197
1 reference
matched by identifier from
InChIKey
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038481
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
KNApSAcK ID
C00009887
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
UNII
UR6DL4Q3CY
1 reference
matched by identifier from
InChIKey
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
LIPID MAPS ID
LMPK12050225
1 reference
InChIKey
JQNSUDIGIIGIOL-UHFFFAOYSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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