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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:9970 - Verticine
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ChEBI Ontology
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ChEBI Name
Verticine
ChEBI ID
CHEBI:9970
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C27H45NO3
Net Charge
0
Average Mass
431.652
Monoisotopic Mass
431.33994
InChI
InChI=1S/C27H45NO3/c1-
15-
4-
7-
25-
27(3,31)
21-
6-
5-
17-
18(20(21)
14-
28(25)
13-
15)
11-
22-
19(17)
12-
24(30)
23-
10-
16(29)
8-
9-
26(22,23)
2/h15-
25,29-
31H,4-
14H2,1-
3H3/t15-
,16-
,17+,18+,19-
,20-
,21-
,22-
,23+,24-
,25-
,26+,27-
/m0/s1
InChIKey
IUKLSMSEHKDIIP-BZMYINFQSA-N
SMILES
C[C@H]
1CC[C@@H]
2N(C1)
C[C@H]
1[C@@H]
3C[C@H]
4[C@@H]
(C[C@H]
(O)
[C@H]
5C[C@@H]
(O)
CC[C@]
45C)
[C@@H]
3CC[C@@H]
1[C@]
2(C)
O
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
Verticine (
CHEBI:9970
)
is a
alkaloid (
CHEBI:22315
)
Synonyms
Sources
Verticine
KEGG COMPOUND
Verticine
KEGG COMPOUND
Manual Xrefs
Databases
C00002271
KNApSAcK
C10830
KEGG COMPOUND
View more database links
Registry Number
Type
Source
23496-41-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014