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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:2722 - Angularine
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ChEBI Ontology
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ChEBI Name
Angularine
ChEBI ID
CHEBI:2722
Stars
This entity has been manually annotated by a third party.
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Formula
C18H25NO6
Net Charge
0
Average Mass
351.395
Monoisotopic Mass
351.16819
InChI
InChI=1S/C18H25NO6/c1-
4-
11-
7-
10(2)
18(3,23)
17(22)
24-
9-
12-
13(20)
8-
19-
6-
5-
14(15(12)
19)
25-
16(11)
21/h4,12-
15,20,23H,2,5-
9H2,1,3H3/b11-
4-
/t12-
,13+,14+,15+,18+/m0/s1
InChIKey
MCWACAVORNFEFS-HMNNQIDUSA-N
SMILES
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing
Angularine (
CHEBI:2722
)
is a
pyrrolizines (
CHEBI:38522
)
Synonym
Source
Angularine
KEGG COMPOUND
Manual Xrefs
Databases
C00002080
KNApSAcK
C10279
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1354-37-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014