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:68115 - Metachromin W
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Metachromin W
ChEBI ID
CHEBI:68115
Definition
A natural product found in
Thorecta reticulata
.
Stars
This entity has been manually annotated by a third party.
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
C22H26O3
Net Charge
0
Average Mass
338.44000
Monoisotopic Mass
338.18819
InChI
InChI=1S/C22H26O3/c1-
14-
6-
5-
11-
22(2,3)
18(14)
10-
8-
15-
7-
9-
16-
17(12-
15)
19(23)
13-
20(25-
4)
21(16)
24/h7,9,12-
13,18H,1,5-
6,8,10-
11H2,2-
4H3
InChIKey
QIXSHDMCYJRFNH-UHFFFAOYSA-N
SMILES
COC1=CC(=O)c2cc(CCC3C(=C)CCCC3(C)C)ccc2C1=O
Metabolite of Species
Details
Thorecta reticulata
(NCBI:txid1162800)
Methanolic extract of freeze dried animal material See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Metachromin W (
CHEBI:68115
)
has role
metabolite (
CHEBI:25212
)
Metachromin W (
CHEBI:68115
)
is a
1,4-naphthoquinones (
CHEBI:132142
)
Metachromin W (
CHEBI:68115
)
is a
enol ether (
CHEBI:47985
)
Synonym
Source
6-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-2-methoxy-1,4-naphthoquinone
ChEBI
Citation
Type
Source
21513294
PubMed citation
Europe PMC
Last Modified
07 June 2016
General Comment
2014-10-17
Suggested Classification: ISA:aromatic ketone(CHEBI:76224); ISA:p-quinone(CHEBI:25830); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532);