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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69386 - neotuberostemonine
Main
ChEBI Ontology
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ChEBI Name
neotuberostemonine
ChEBI ID
CHEBI:69386
Definition
A natural product found in
Stemona tuberosa
and
Stemona phyllantha
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H33NO4
Net Charge
0
Average Mass
375.50170
Monoisotopic Mass
375.24096
InChI
InChI=1S/C22H33NO4/c1-
4-
13-
14-
7-
5-
6-
8-
23-
16(17-
9-
11(2)
21(24)
26-
17)
10-
15(19(14)
23)
18-
12(3)
22(25)
27-
20(13)
18/h11-
20H,4-
10H2,1-
3H3/t11-
,12-
,13+,14+,15-
,16-
,17-
,18-
,19+,20+/m0/s1
InChIKey
GYOGHROCTSEKDY-UEIGSNQUSA-N
SMILES
[H]
[C@]
1(C[C@H]
(C)
C(=O)
O1)
[C@]
1([H]
)
C[C@@]
2([H]
)
[C@]
3([H]
)
[C@H]
(C)
C(=O)
O[C@]
3([H]
)
[C@H]
(CC)
[C@@]
3([H]
)
CCCCN1[C@@]
23[H]
Metabolite of Species
Details
Stemona tuberosa
(NCBI:txid167572)
Found in tuberous root
(BTO:0001309)
. MeOH extract of dried underground parts(tuberous roots and rhizomes) See:
PubMed
Stemona tuberosa
(NCBI:txid167572)
Found in rhizome
(BTO:0001181)
. MeOH extract of dried underground parts(tuberous roots and rhizomes) See:
PubMed
Stemona phyllantha
(NCBI:txid492017)
Found in rhizome
(BTO:0001181)
. MeOH extract of dried underground parts(tuberous roots and rhizomes) See:
PubMed
Stemona phyllantha
(NCBI:txid492017)
Found in tuberous root
(BTO:0001309)
. MeOH extract of dried underground parts(tuberous roots and rhizomes) See:
PubMed
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
neotuberostemonine (
CHEBI:69386
)
has role
metabolite (
CHEBI:25212
)
neotuberostemonine (
CHEBI:69386
)
is a
alkaloid (
CHEBI:22315
)
Synonym
Source
(2S,7aR,8R,8aR,11S,11aR,11bS,11cR)-
8-
Ethyl-
11-
methyl-
2-
[(2S,4S)-
4-
methyl-
5-
oxotetrahydro-
2-
furanyl]dodecahydroazepino[3,2,1-
hi]furo[3,2-
e]indol-
10(2H)-
one
ChEBI
Citation
Type
Source
21902195
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:alkaloid(CHEBI:22315); ISA:ferriheme a(CHEBI:36183); ISA:indoles(CHEBI:24828); ISA:azepanes(CHEBI:46986); ISA:gamma-lactone(CHEBI:37581); ISA:dicarboxylic acid(CHEBI:35692); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:oxolanes(CHEBI:26912); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);