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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:71535 - (1'
S
,5'
S
)-5'-hydroxyaverantin
Main
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ChEBI Name
(1'
S
,5'
S
)-5'-hydroxyaverantin
ChEBI ID
CHEBI:71535
ChEBI ASCII Name
(1'S,5'S)-5'-hydroxyaverantin
Definition
A tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1,5-dihydroxyhexyl substituent at position 2 (the 1'
S
,5'
S
-diastereomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C20H20O8
Net Charge
0
Average Mass
388.36800
Monoisotopic Mass
388.11582
InChI
InChI=1S/C20H20O8/c1-
8(21)
3-
2-
4-
12(23)
17-
14(25)
7-
11-
16(20(17)
28)
19(27)
15-
10(18(11)
26)
5-
9(22)
6-
13(15)
24/h5-
8,12,21-
25,28H,2-
4H2,1H3/t8-
,12-
/m0/s1
InChIKey
GGNDESPZSKTNHV-UFBFGSQYSA-N
SMILES
C[C@H](O)CCC[C@H](O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
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
(1'
S
,5'
S
)-5'-hydroxyaverantin (
CHEBI:71535
)
has role
metabolite (
CHEBI:25212
)
(1'
S
,5'
S
)-5'-hydroxyaverantin (
CHEBI:71535
)
is a
polyketide (
CHEBI:26188
)
(1'
S
,5'
S
)-5'-hydroxyaverantin (
CHEBI:71535
)
is a
polyphenol (
CHEBI:26195
)
(1'
S
,5'
S
)-5'-hydroxyaverantin (
CHEBI:71535
)
is a
tetrahydroxyanthraquinone (
CHEBI:37496
)
(1'
S
,5'
S
)-5'-hydroxyaverantin (
CHEBI:71535
)
is conjugate acid of
(1'
S
,5'
S
)-5'-hydroxyaverantin(1−) (
CHEBI:77900
)
Incoming
(1'
S
,5'
S
)-5'-hydroxyaverantin(1−) (
CHEBI:77900
)
is conjugate base of
(1'
S
,5'
S
)-5'-hydroxyaverantin (
CHEBI:71535
)
IUPAC Name
2-[(1
S
,5
S
)-1,5-dihydroxyhexyl]-1,3,6,8-tetrahydroxy-9,10-anthraquinone
Manual Xref
Database
CPD-10164
MetaCyc
View more database links
Citation
Type
Source
8368836
PubMed citation
SUBMITTER
Last Modified
14 June 2016