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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:71639 - versiconol
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ChEBI Ontology
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ChEBI Name
versiconol
ChEBI ID
CHEBI:71639
Definition
A polyphenol that is 9,10-anthraquinone substituted at positions 1, 3, 6 and 8 by hydroxy groups and at position 2 by a 1,4-dihydroxybutan-2-yl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C18H16O8
Net Charge
0
Average Mass
360.31480
Monoisotopic Mass
360.08452
InChI
InChI=1S/C18H16O8/c19-
2-
1-
7(6-
20)
13-
12(23)
5-
10-
15(17(13)
25)
18(26)
14-
9(16(10)
24)
3-
8(21)
4-
11(14)
22/h3-
5,7,19-
23,25H,1-
2,6H2
InChIKey
ZLIRCPWCWHTYNP-UHFFFAOYSA-N
SMILES
OCCC(CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
Metabolite of Species
Details
Aspergillus parasiticus
(NCBI:txid5067)
See:
PubMed
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
versiconol (
CHEBI:71639
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
versiconol (
CHEBI:71639
)
is a
polyphenol (
CHEBI:26195
)
versiconol (
CHEBI:71639
)
is a
tetrahydroxyanthraquinone (
CHEBI:37496
)
Incoming
(
S
)-versiconol (
CHEBI:71665
)
is a
versiconol (
CHEBI:71639
)
IUPAC Name
2-(1,4-dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxy-9,10-anthraquinone
Synonym
Source
versiconol
UniProt
Manual Xref
Database
CPD-10174
MetaCyc
View more database links
Registry Number
Type
Source
2065759
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12513978
PubMed citation
SUBMITTER
15184162
PubMed citation
Europe PMC
15933021
PubMed citation
SUBMITTER
1770361
PubMed citation
Europe PMC
19211038
PubMed citation
Europe PMC
7730152
PubMed citation
Europe PMC
8368837
PubMed citation
Europe PMC
Last Modified
14 June 2016