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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4777 - Elymoclavine
Main
ChEBI Ontology
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ChEBI Name
Elymoclavine
ChEBI ID
CHEBI:4777
Stars
This entity has been manually annotated by a third party.
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Formula
C16H18N2O
Net Charge
0
Average Mass
254.328
Monoisotopic Mass
254.14191
InChI
InChI=1S/C16H18N2O/c1-
18-
8-
10(9-
19)
5-
13-
12-
3-
2-
4-
14-
16(12)
11(7-
17-
14)
6-
15(13)
18/h2-
5,7,13,15,17,19H,6,8-
9H2,1H3/t13-
,15-
/m1/s1
InChIKey
DAVNRFCJMIONPO-UKRRQHHQSA-N
SMILES
CN1CC(CO)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
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
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Elymoclavine (
CHEBI:4777
)
is a
alkaloid (
CHEBI:22315
)
Synonyms
Sources
Dihydrolysergol
KEGG COMPOUND
Elymoclavine
KEGG COMPOUND
Manual Xrefs
Databases
C00001717
KNApSAcK
C06068
KEGG COMPOUND
View more database links
Registry Number
Type
Source
548-43-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014