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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:5897 - indicine
Main
ChEBI Ontology
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ChEBI Name
indicine
ChEBI ID
CHEBI:5897
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H25NO5
Net Charge
0
Average Mass
299.36274
Monoisotopic Mass
299.17327
InChI
InChI=1S/C15H25NO5/c1-
9(2)
15(20,10(3)
17)
14(19)
21-
8-
11-
4-
6-
16-
7-
5-
12(18)
13(11)
16/h4,9-
10,12-
13,17-
18,20H,5-
8H2,1-
3H3/t10-
,12+,13+,15+/m0/s1
InChIKey
SFVVQRJOGUKCEG-XTWPYSKKSA-N
SMILES
[H][C@@]12[C@H](O)CCN1CC=C2COC(=O)[C@@](O)(C(C)C)[C@H](C)O
ChEBI Ontology
Outgoing
indicine (
CHEBI:5897
)
is a
carboxylic ester (
CHEBI:33308
)
indicine (
CHEBI:5897
)
is a
pyrrolizines (
CHEBI:38522
)
IUPAC Name
[(1
R
,7a
R
)-
1-
hydroxy-
2,3,5,7a-
tetrahydro-
1
H
-
pyrrolizin-
7-
yl]methyl (2
R
,3
S
)-
2,3-
dihydroxy-
2-
(propan-
2-
yl)butanoate
Synonyms
Sources
[(1
R
,7a
R
)-
1-
hydroxy-
2,3,5,7a-
tetrahydro-
1
H
-
pyrrolizin-
7-
yl]methyl (2
R
,3
S
)-
2,3-
dihydroxy-
2-
isopropylbutanoate
IUPAC
Indicine
KEGG COMPOUND
Manual Xrefs
Databases
C00002091
KNApSAcK
C10326
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
4324630
Beilstein Registry Number
ChemIDplus
4704139
Beilstein Registry Number
Beilstein
480-82-0
CAS Registry Number
NIST Chemistry WebBook
480-82-0
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014