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:139472 - (4
S
)-2,3-dehydroleucopelargonidin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(4
S
)-2,3-dehydroleucopelargonidin
ChEBI ID
CHEBI:139472
ChEBI ASCII Name
(4S)-2,3-dehydroleucopelargonidin
Definition
A chromenol that is 2-(4-hydroxyphenyl)-4
H
-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7.
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
Formula
C15H12O6
Net Charge
0
Average Mass
288.253
Monoisotopic Mass
288.06339
InChI
InChI=1S/C15H12O6/c16-
8-
3-
1-
7(2-
4-
8)
15-
14(20)
13(19)
12-
10(18)
5-
9(17)
6-
11(12)
21-
15/h1-
6,13,16-
20H/t13-
/m0/s1
InChIKey
GMICVRNSOOSANN-ZDUSSCGKSA-N
SMILES
C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)O)O
ChEBI Ontology
Outgoing
(4
S
)-2,3-dehydroleucopelargonidin (
CHEBI:139472
)
is a
chromenol (
CHEBI:39436
)
(4
S
)-2,3-dehydroleucopelargonidin (
CHEBI:139472
)
is a
enol (
CHEBI:33823
)
(4
S
)-2,3-dehydroleucopelargonidin (
CHEBI:139472
)
is a
polyphenol (
CHEBI:26195
)
(4
S
)-2,3-dehydroleucopelargonidin (
CHEBI:139472
)
is a
secondary allylic alcohol (
CHEBI:134396
)
(4
S
)-2,3-dehydroleucopelargonidin (
CHEBI:139472
)
is conjugate acid of
(4
S
)-2,3-dehydroleucopelargonidin(1−) (
CHEBI:138950
)
Incoming
(4
S
)-2,3-dehydroleucopelargonidin(1−) (
CHEBI:138950
)
is conjugate base of
(4
S
)-2,3-dehydroleucopelargonidin (
CHEBI:139472
)
IUPAC Name
(4
S
)-2-(4-hydroxyphenyl)-4
H
-1-benzopyran-3,4,5,7-tetrol
Manual Xref
Database
CPD-19725
MetaCyc
View more database links
Citations
Types
Sources
11796114
PubMed citation
Europe PMC
14552794
PubMed citation
Europe PMC
Last Modified
16 January 2018