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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
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CHEBI:137843 - Grandiflorone
Main
ChEBI Ontology
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ChEBI Name
Grandiflorone
ChEBI ID
CHEBI:137843
Stars
This entity has been manually annotated by a third party.
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Formula
C19H22O4
Net Charge
0
Average Mass
314.376
Monoisotopic Mass
314.15181
InChI
InChI=1S/C19H22O4/c1-
18(2)
15(21)
14(16(22)
19(3,4)
17(18)
23)
13(20)
11-
10-
12-
8-
6-
5-
7-
9-
12/h5-
9,21H,10-
11H2,1-
4H3
InChIKey
KUWGTESSHWPSOB-UHFFFAOYSA-N
SMILES
C1(C(C(=C(C(C1(C)C)=O)C(CCC2=CC=CC=C2)=O)O)(C)C)=O
ChEBI Ontology
Outgoing
Grandiflorone (
CHEBI:137843
)
is a
benzoquinones (
CHEBI:22729
)
Grandiflorone (
CHEBI:137843
)
is a
quinone (
CHEBI:36141
)
Manual Xref
Database
LMPK12120595
LIPID MAPS
View more database links
Last Modified
12 July 2017