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CHEBI:72767 - demethoxyfumitremorgin C
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ChEBI Name
demethoxyfumitremorgin C
ChEBI ID
CHEBI:72767
Definition
An organic heteropentacyclic compound that is a mycotoxic indole alkaloid, consisting of fumitremorgin C lacking the 9-methoxy substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C21H23N3O2
Net Charge
0
Average Mass
349.42620
Monoisotopic Mass
349.17903
InChI
InChI=1S/C21H23N3O2/c1-
12(2)
10-
17-
19-
14(13-
6-
3-
4-
7-
15(13)
22-
19)
11-
18-
20(25)
23-
9-
5-
8-
16(23)
21(26)
24(17)
18/h3-
4,6-
7,10,16-
18,22H,5,8-
9,11H2,1-
2H3/t16-
,17-
,18-
/m0/s1
InChIKey
LQXCSIKDOISJTI-BZSNNMDCSA-N
SMILES
[H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4ccccc34)[C@H](C=C(C)C)N1C2=O
Roles Classification
Biological Role
(s):
mycotoxin
Poisonous substance produced by fungi.
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
demethoxyfumitremorgin C (
CHEBI:72767
)
has role
mycotoxin (
CHEBI:25442
)
demethoxyfumitremorgin C (
CHEBI:72767
)
is a
indole alkaloid (
CHEBI:38958
)
demethoxyfumitremorgin C (
CHEBI:72767
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
IUPAC Name
(5a
S
,12
S
,14a
S
)-
12-
(2-
methylprop-
1-
en-
1-
yl)-
1,2,3,5a,6,11,12,14a-
octahydro-
5
H
,14
H
-
pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-
b
]indole-
5,14-
dione
Synonym
Source
demethoxyfumitremorgin C
UniProt
Manual Xref
Database
HMDB0029565
HMDB
View more database links
Registry Number
Type
Source
4719119
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19226505
PubMed citation
SUBMITTER
8698634
PubMed citation
Europe PMC
8698635
PubMed citation
Europe PMC
Last Modified
15 March 2013