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:71656 - versicolorone tetracyclic form
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
versicolorone tetracyclic form
ChEBI ID
CHEBI:71656
Definition
The tetracyclic anthrafuran form of versicolorone.
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
C20H16O7
Net Charge
0
Average Mass
368.33680
Monoisotopic Mass
368.08960
InChI
InChI=1S/C20H16O7/c1-
8(21)
2-
3-
9-
7-
27-
14-
6-
12-
17(19(25)
15(9)
14)
20(26)
16-
11(18(12)
24)
4-
10(22)
5-
13(16)
23/h4-
6,9,22-
23,25H,2-
3,7H2,1H3
InChIKey
XDLBESHDJXFECS-UHFFFAOYSA-N
SMILES
CC(=O)CCC1COc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
(via
versicolorone
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
versicolorone tetracyclic form (
CHEBI:71656
)
is a
p
-quinones (
CHEBI:25830
)
versicolorone tetracyclic form (
CHEBI:71656
)
is a
anthrafuran (
CHEBI:71652
)
versicolorone tetracyclic form (
CHEBI:71656
)
is a
versicolorone (
CHEBI:71654
)
IUPAC Name
4,6,8-trihydroxy-3-(3-oxobutyl)-2,3-dihydroanthra[2,3-
b
]furan-5,10-dione
Synonyms
Sources
versicolorone
ChEBI
versicolorone tetracyclic form
ChEBI
Registry Numbers
Types
Sources
5152728
Reaxys Registry Number
Reaxys
84062-31-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12513978
PubMed citation
Europe PMC
15933021
PubMed citation
Europe PMC
19211038
PubMed citation
Europe PMC
Last Modified
14 June 2016