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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:81702 - (S)-Hemiketal
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ChEBI Ontology
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ChEBI Name
(S)-Hemiketal
ChEBI ID
CHEBI:81702
Stars
This entity has been manually annotated by a third party.
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Formula
C16H16O6
Net Charge
0
Average Mass
304.29460
Monoisotopic Mass
304.09469
InChI
InChI=1S/C16H16O6/c1-
16(21)
14-
9(6-
10(22-
16)
7-
12(18)
19)
5-
8-
3-
2-
4-
11(17)
13(8)
15(14)
20/h2-
4,10,17,21H,5-
7H2,1H3,(H,18,19)
/t10-
,16?/m0/s1
InChIKey
YIEUIGLDTPWIHC-VQVVDHBBSA-N
SMILES
CC1(O)O[C@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2
ChEBI Ontology
Outgoing
(S)-Hemiketal (
CHEBI:81702
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
(S)-Hemiketal (
CHEBI:81702
)
is a
organooxygen compound (
CHEBI:36963
)
Manual Xref
Database
C18356
KEGG COMPOUND
View more database links