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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3366 - Capaurine
Main
ChEBI Ontology
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ChEBI Name
Capaurine
ChEBI ID
CHEBI:3366
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C21H25NO5
Net Charge
0
Average Mass
371.428
Monoisotopic Mass
371.17327
InChI
InChI=1S/C21H25NO5/c1-
24-
16-
6-
5-
12-
9-
15-
18-
13(10-
17(25-
2)
21(27-
4)
19(18)
23)
7-
8-
22(15)
11-
14(12)
20(16)
26-
3/h5-
6,10,15,23H,7-
9,11H2,1-
4H3/t15-
/m0/s1
InChIKey
GSPIMPLJQOCBFY-HNNXBMFYSA-N
SMILES
COc1ccc2C[C@@H]3N(CCc4cc(OC)c(OC)c(O)c34)Cc2c1OC
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
Capaurine (
CHEBI:3366
)
is a
alkaloid (
CHEBI:22315
)
Synonym
Source
Capaurine
KEGG COMPOUND
Manual Xrefs
Databases
C00001829
KNApSAcK
C09371
KEGG COMPOUND
View more database links
Registry Number
Type
Source
478-14-8
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014