Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:48712 - (+)-citrinin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(+)-citrinin
ChEBI ID
CHEBI:48712
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C13H14O5
Net Charge
0
Average Mass
250.24726
Monoisotopic Mass
250.08412
InChI
InChI=1S/C13H14O5/c1-
5-
7(3)
18-
4-
8-
9(5)
6(2)
11(14)
10(12(8)
15)
13(16)
17/h4-
5,7,15H,1-
3H3,(H,16,17)
/t5-
,7-
/m0/s1
InChIKey
CQIUKKVOEOPUDV-FSPLSTOPSA-N
SMILES
C[C@@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@H]1C
ChEBI Ontology
Outgoing
(+)-citrinin (
CHEBI:48712
)
is a
citrinin (
CHEBI:48708
)
(+)-citrinin (
CHEBI:48712
)
is enantiomer of
(−)-citrinin (
CHEBI:48707
)
Incoming
(−)-citrinin (
CHEBI:48707
)
is enantiomer of
(+)-citrinin (
CHEBI:48712
)
IUPAC Name
(3
S
,4
R
)-
8-
hydroxy-
3,4,5-
trimethyl-
6-
oxo-
4,6-
dihydro-
3
H
-
isochromene-
7-
carboxylic acid
Synonym
Source
(3
S
-
trans
)-
4,6-
dihydro-
8-
hydroxy-
3,4,5-
trimethyl-
6-
oxo-
3
H
-
2-
benzopyran-
7-
carboxylic acid
NIST Chemistry WebBook
Registry Numbers
Types
Sources
112245-94-0
CAS Registry Number
NIST Chemistry WebBook
88598
Beilstein Registry Number
Beilstein
Last Modified
02 December 2009