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:69015 - Malabaricone C
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Malabaricone C
ChEBI ID
CHEBI:69015
Definition
A natural product found in
Myristica cinnamomea
.
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
C21H26O5
Net Charge
0
Average Mass
358.42810
Monoisotopic Mass
358.17802
InChI
InChI=1S/C21H26O5/c22-
16-
13-
12-
15(14-
20(16)
26)
8-
5-
3-
1-
2-
4-
6-
9-
17(23)
21-
18(24)
10-
7-
11-
19(21)
25/h7,10-
14,22,24-
26H,1-
6,8-
9H2
InChIKey
HCOZRFYGIFMIEX-UHFFFAOYSA-N
SMILES
Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O
Metabolite of Species
Details
Myristica cinnamomea
(IPNI:586016-1)
Found in bark
(BTO:0001301)
. Methanolic extract of dried, powdered bark. 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
Malabaricone C (
CHEBI:69015
)
has role
metabolite (
CHEBI:25212
)
Malabaricone C (
CHEBI:69015
)
is a
butanone (
CHEBI:22951
)
Synonym
Source
1-(2,6-Dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one
ChEBI
Manual Xref
Database
HMDB0005798
HMDB
View more database links
Registry Number
Type
Source
63335-25-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
21910441
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:acetophenones(CHEBI:22187); ISA:catechols(CHEBI:33566); ISA:resorcinols(CHEBI:33572); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);