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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:9183 - sojagol
Main
ChEBI Ontology
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ChEBI Name
sojagol
ChEBI ID
CHEBI:9183
Definition
A member of the class of coumestans that is coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H16O5
Net Charge
0
Average Mass
336.33800
Monoisotopic Mass
336.09977
InChI
InChI=1S/C20H16O5/c1-
20(2)
8-
7-
12-
14(25-
20)
6-
5-
13-
16-
18(24-
17(12)
13)
11-
4-
3-
10(21)
9-
15(11)
23-
19(16)
22/h3-
6,9,21H,7-
8H2,1-
2H3
InChIKey
GSAVLDZAGYKJSO-UHFFFAOYSA-N
SMILES
CC1(C)CCc2c(O1)ccc1c2oc2c1c(=O)oc1cc(O)ccc21
Metabolite of Species
Details
Glycine max
(NCBI:txid3847)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sojagol (
CHEBI:9183
)
has functional parent
coumestan (
CHEBI:72578
)
sojagol (
CHEBI:9183
)
has role
plant metabolite (
CHEBI:76924
)
sojagol (
CHEBI:9183
)
is a
δ-lactone (
CHEBI:18946
)
sojagol (
CHEBI:9183
)
is a
coumestans (
CHEBI:72577
)
sojagol (
CHEBI:9183
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
10-
hydroxy-
3,3-
dimethyl-
2,3-
dihydro-
1
H
,7
H
-
pyrano[2',3':6,7][1]benzofuro[3,2-
c
][1]benzopyran-
7-
one
Manual Xrefs
Databases
C00002572
KNApSAcK
C10529
KEGG COMPOUND
HMDB0034027
HMDB
LMPK12090012
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1628647
Reaxys Registry Number
Reaxys
18979-00-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16659156
PubMed citation
Europe PMC
IND92021101
Agricola citation
Europe PMC
Last Modified
12 June 2015