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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:70148 - Monocerin
Main
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ChEBI Name
Monocerin
ChEBI ID
CHEBI:70148
Definition
A natural product found in
Colletotrichum
species.
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:6978
Supplier Information
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Formulae
C16H20O6
C16H20O6
Net Charge
0
Average Mass
308.32640
Monoisotopic Mass
308.12599
InChI
InChI=1S/C16H20O6/c1-
4-
5-
8-
6-
11-
14(21-
8)
9-
7-
10(19-
2)
15(20-
3)
13(17)
12(9)
16(18)
22-
11/h7-
8,11,14,17H,4-
6H2,1-
3H3/t8-
,11+,14+/m0/s1
InChIKey
VAYQNUBOZLPGDH-OLXJLDBKSA-N
SMILES
[H][C@@]12C[C@H](CCC)O[C@]1([H])c1cc(OC)c(OC)c(O)c1C(=O)O2
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
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
Monocerin (
CHEBI:70148
)
has role
metabolite (
CHEBI:25212
)
Monocerin (
CHEBI:70148
)
is a
hydroxybenzoic acid (
CHEBI:24676
)
Synonyms
Sources
(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
ChEBI
Monocerin
KEGG COMPOUND
Manual Xrefs
Databases
C00003006
KNApSAcK
C09953
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
30270-60-1
CAS Registry Number
KEGG COMPOUND
30270-60-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
21174408
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:2-benzopyran(CHEBI:38444); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);