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ChEBI
> Main
CHEBI:72673 - (3
S
)-versiconol acetate(1−)
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ChEBI Name
(3
S
)-versiconol acetate(1−)
ChEBI ID
CHEBI:72673
ChEBI ASCII Name
(3S)-versiconol acetate(1-)
Definition
An optically active form of versiconol acetate(1−) having 3
S
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C20H17O9
Net Charge
-1
Average Mass
401.34360
Monoisotopic Mass
401.08781
InChI
InChI=1S/C20H18O9/c1-
8(22)
29-
3-
2-
9(7-
21)
15-
14(25)
6-
12-
17(19(15)
27)
20(28)
16-
11(18(12)
26)
4-
10(23)
5-
13(16)
24/h4-
6,9,21,23-
25,27H,2-
3,7H2,1H3/p-
1/t9-
/m1/s1
InChIKey
BWYUKBCRHDFWFF-SECBINFHSA-M
SMILES
CC(=O)OCC[C@H](CO)c1c([O-])cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
ChEBI Ontology
Outgoing
(3
S
)-versiconol acetate(1−) (
CHEBI:72673
)
is a
versiconol acetate(1−) (
CHEBI:71636
)
IUPAC Name
3-
[(2
S
)-
4-
acetoxy-
1-
hydroxybutan-
2-
yl]-
4,5,7-
trihydroxy-
9,10-
dioxo-
9,10-
dihydroanthracen-
2-
olate
Synonym
Source
(3
S
)-versiconol acetate
UniProt
Last Modified
04 March 2013