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:70153 - Colletotrialide, (+)-
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Colletotrialide, (+)-
ChEBI ID
CHEBI:70153
Definition
A natural product found in
Colletotrichum
species.
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
C16H20O6
Net Charge
0
Average Mass
308.32640
Monoisotopic Mass
308.12599
InChI
InChI=1S/C16H20O6/c1-
4-
5-
9(17)
6-
7-
11-
10-
8-
12(20-
2)
15(21-
3)
14(18)
13(10)
16(19)
22-
11/h8,11,18H,4-
7H2,1-
3H3/t11-
/m1/s1
InChIKey
ZMZJTAURJHTVMU-LLVKDONJSA-N
SMILES
CCCC(=O)CC[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc12
Metabolite of Species
Details
Colletotrichum
(NCBI:txid34409)
Crude ethylacetate extract of culture broth of endophytic fungus isolated from Piper ornatum of strain CRI535 02 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
Colletotrialide, (+)- (
CHEBI:70153
)
has role
metabolite (
CHEBI:25212
)
Colletotrialide, (+)- (
CHEBI:70153
)
is a
2-benzofurans (
CHEBI:38831
)
Synonym
Source
(+)-(3R)-7-hydroxy-5,6-dimethoxy-3-(3-oxohexyl)-3H-2-benzofuran-1-one
ChEBI
Citation
Type
Source
21174408
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:carboxylic ester(CHEBI:33308); ISA:ketone(CHEBI:17087); ISA:lactone(CHEBI:25000); ISA:monocarboxylic acid(CHEBI:25384); ISA:aromatic alcohol(CHEBI:33854);