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ChEBI
> Main
CHEBI:31567 - Ethoheptazine citrate
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ChEBI Ontology
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ChEBI Name
Ethoheptazine citrate
ChEBI ID
CHEBI:31567
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This entity has been manually annotated by a third party.
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Formulae
C16H23NO2.C6H8O7
C22H31NO9
Net Charge
0
Average Mass
453.484
Monoisotopic Mass
453.19988
InChI
InChI=1S/C16H23NO2.C6H8O7/c1-
3-
19-
15(18)
16(14-
8-
5-
4-
6-
9-
14)
10-
7-
12-
17(2)
13-
11-
16;7-
3(8)
1-
6(13,5(11)
12)
2-
4(9)
10/h4-
6,8-
9H,3,7,10-
13H2,1-
2H3;13H,1-
2H2,(H,7,8)
(H,9,10)
(H,11,12)
InChIKey
KCVHFFSPDODYOG-UHFFFAOYSA-N
SMILES
C1(C2(C(OCC)=O)CCCN(CC2)C)=CC=CC=C1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
ChEBI Ontology
Outgoing
Ethoheptazine citrate (
CHEBI:31567
)
is a
carbonyl compound (
CHEBI:36586
)
Synonym
Source
Ethoheptazine citrate
KEGG COMPOUND
Manual Xref
Database
D01435
KEGG DRUG
View more database links
Registry Number
Type
Source
6700-56-7
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017