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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:3475 - Cavinine
Main
ChEBI Ontology
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ChEBI Name
Cavinine
ChEBI ID
CHEBI:3475
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C18H21NO6
Net Charge
0
Average Mass
347.363
Monoisotopic Mass
347.13689
InChI
InChI=1S/C18H21NO6/c1-
21-
10-
4-
12-
18(17-
16(10)
25-
17)
9-
3-
11-
15(24-
7-
23-
11)
14(22-
2)
8(9)
5-
19(12)
6-
13(18)
20/h3,10,12-
13,16-
17,20H,4-
7H2,1-
2H3/t10-
,12-
,13-
,16+,17+,18+/m1/s1
InChIKey
GKZWOVRDMISXTE-VGYNPPCGSA-N
SMILES
CO[C@@H]1C[C@H]2N3C[C@@H](O)[C@]2([C@H]2O[C@@H]12)c1cc2OCOc2c(OC)c1C3
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
Cavinine (
CHEBI:3475
)
is a
alkaloid (
CHEBI:22315
)
Synonym
Source
Cavinine
KEGG COMPOUND
Manual Xrefs
Databases
C00001568
KNApSAcK
C08524
KEGG COMPOUND
View more database links
Registry Number
Type
Source
58189-38-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014