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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:137722 - (-)-Ngaione
Main
ChEBI Ontology
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ChEBI Name
(-)-Ngaione
ChEBI ID
CHEBI:137722
Stars
This entity has been manually annotated by a third party.
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Formula
C15H22O3
Net Charge
0
Average Mass
250.334
Monoisotopic Mass
250.15689
InChI
InChI=1S/C15H22O3/c1-
11(2)
8-
13(16)
9-
15(3)
6-
4-
14(18-
15)
12-
5-
7-
17-
10-
12/h5,7,10-
11,14H,4,6,8-
9H2,1-
3H3/t14-
,15+/m0/s1
InChIKey
WOFDWNOSFDVCDF-LSDHHAIUSA-N
SMILES
C1=COC=C1[C@@]2(CC[C@](O2)(C)CC(CC(C)C)=O)[H]
ChEBI Ontology
Outgoing
(-)-Ngaione (
CHEBI:137722
)
is a
heteroarene (
CHEBI:33833
)
Manual Xref
Database
LMPR0103020001
LIPID MAPS
View more database links
Last Modified
10 July 2017