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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:71634 - hydroxyversicolorone
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ChEBI Ontology
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ChEBI Name
hydroxyversicolorone
ChEBI ID
CHEBI:71634
Definition
An anthrafuran that is 2,3-dihydroanthra[2,3-
b
]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 3-oxobutyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C20H16O8
Net Charge
0
Average Mass
384.33620
Monoisotopic Mass
384.08452
InChI
InChI=1S/C20H16O8/c1-
7(21)
2-
3-
9-
15-
13(28-
20(9)
27)
6-
11-
16(19(15)
26)
18(25)
14-
10(17(11)
24)
4-
8(22)
5-
12(14)
23/h4-
6,9,20,22-
23,26-
27H,2-
3H2,1H3/t9-
,20-
/m0/s1
InChIKey
JGXCLZAVTLWCBF-LXGOIASLSA-N
SMILES
CC(=O)CC[C@@H]1[C@@H](O)Oc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hydroxyversicolorone (
CHEBI:71634
)
has role
metabolite (
CHEBI:25212
)
hydroxyversicolorone (
CHEBI:71634
)
is a
p
-quinones (
CHEBI:25830
)
hydroxyversicolorone (
CHEBI:71634
)
is a
anthrafuran (
CHEBI:71652
)
hydroxyversicolorone (
CHEBI:71634
)
is a
lactol (
CHEBI:38131
)
hydroxyversicolorone (
CHEBI:71634
)
is a
polyphenol (
CHEBI:26195
)
hydroxyversicolorone (
CHEBI:71634
)
is conjugate acid of
hydroxyversicolorone(1−) (
CHEBI:77907
)
Incoming
hydroxyversicolorone(1−) (
CHEBI:77907
)
is conjugate base of
hydroxyversicolorone (
CHEBI:71634
)
IUPAC Name
(2
S
,3
S
)-
2,4,6,8-
tetrahydroxy-
3-
(3-
oxobutyl)-
2,3-
dihydroanthra[2,3-
b
]furan-
5,10-
dione
Synonym
Source
1'-hydroxyversicolorone
ChEBI
Manual Xref
Database
CPD-10168
MetaCyc
View more database links
Registry Numbers
Types
Sources
111975-78-1
CAS Registry Number
ChemIDplus
5313681
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12513978
PubMed citation
SUBMITTER
15184162
PubMed citation
Europe PMC
15933021
PubMed citation
SUBMITTER
19211038
PubMed citation
Europe PMC
22069531
PubMed citation
Europe PMC
Last Modified
06 June 2016