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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:72671 - (2
S
,3
S
)-versiconal hemiacetal acetate
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ChEBI Name
(2
S
,3
S
)-versiconal hemiacetal acetate
ChEBI ID
CHEBI:72671
ChEBI ASCII Name
(2S,3S)-versiconal hemiacetal acetate
Definition
An optically active form of versiconal hemiacetal acetate having 2
S
,3
S
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
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Formula
C20H16O9
Net Charge
0
Average Mass
400.33560
Monoisotopic Mass
400.07943
InChI
InChI=1S/C20H16O9/c1-
7(21)
28-
3-
2-
9-
15-
13(29-
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
DYJNRRXQVSJBAA-LXGOIASLSA-N
SMILES
CC(=O)OCC[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.
(via
versiconal hemiacetal acetate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
S
,3
S
)-versiconal hemiacetal acetate (
CHEBI:72671
)
is a
versiconal hemiacetal acetate (
CHEBI:71637
)
(2
S
,3
S
)-versiconal hemiacetal acetate (
CHEBI:72671
)
is conjugate acid of
(2
S
,3
S
)-versiconal hemiacetal acetate(1−) (
CHEBI:77975
)
Incoming
(2
S
,3
S
)-versiconal hemiacetal acetate(1−) (
CHEBI:77975
)
is conjugate base of
(2
S
,3
S
)-versiconal hemiacetal acetate (
CHEBI:72671
)
IUPAC Name
2-
[(2
S
,3
S
)-
2,4,6,8-
tetrahydroxy-
5,10-
dioxo-
2,3,5,10-
tetrahydroanthra[2,3-
b
]furan-
3-
yl]ethyl acetate
Last Modified
24 June 2014