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(Q76303491)
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English
Gancaonin D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoflavonoid
0 references
8C-substituted isoflavone
0 references
8C-prenylisoflavone
0 references
mass
384.12090298
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₇
0 references
canonical SMILES
O=C1C(=COC=2C1=C(O)C=C(O)C2CC=C(C)CO)C=3C=CC(OC)=C(O)C3
0 references
isomeric SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)O)/CO
0 references
found in taxon
Glycyrrhiza uralensis
2 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
Identifiers
InChI
InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+
0 references
InChIKey
UCKSAYIMWMIZQJ-QDEBKDIKSA-N
0 references
CAS Registry Number
124596-88-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5317481
1 reference
matched by identifier from
InChIKey
InChIKey
UCKSAYIMWMIZQJ-QDEBKDIKSA-N
ChEBI ID
168847
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+
UniChem compound ID
31999982
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901110235
1 reference
matched by identifier from
InChIKey
InChIKey
UCKSAYIMWMIZQJ-QDEBKDIKSA-N
Human Metabolome Database ID
HMDB0038396
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCKSAYIMWMIZQJ-QDEBKDIKSA-N
KNApSAcK ID
C00009904
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCKSAYIMWMIZQJ-QDEBKDIKSA-N
LIPID MAPS ID
LMPK12050263
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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