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ChEBI
> Main
CHEBI:70394 - aspidinol C
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ChEBI Ontology
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ChEBI Name
aspidinol C
ChEBI ID
CHEBI:70394
Definition
A natural product found in
Hypericum chinense
.
Stars
This entity has been manually annotated by a third party.
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Formula
C13H18O4
Net Charge
0
Average Mass
238.27960
Monoisotopic Mass
238.12051
InChI
InChI=1S/C13H18O4/c1-7(2)5-9(14)12-10(15)6-11(17-4)8(3)13(12)16/h6-7,15-16H,5H2,1-4H3
InChIKey
LFTHKHYHTUZOJP-UHFFFAOYSA-N
SMILES
COc1cc(O)c(C(=O)CC(C)C)c(O)c1C
Metabolite of Species
Details
Hypericum chinense
(IPNI:433315-1)
Found in leaf
(BTO:0000713)
. 95% EtOH extract of dried, chopped leaves 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
aspidinol C (
CHEBI:70394
)
has functional parent
phloroglucinol (
CHEBI:16204
)
aspidinol C (
CHEBI:70394
)
has role
metabolite (
CHEBI:25212
)
aspidinol C (
CHEBI:70394
)
is a
carboxylic ester (
CHEBI:33308
)
Synonym
Source
1-[2,6-dihydroxy-4-methoxy-3-methylphenyl]-3'-methylbutan-1'-one
ChEBI
Citation
Type
Source
21043475
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:butanone(CHEBI:22951); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:acetophenones(CHEBI:22187); ISA:resorcinols(CHEBI:33572); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:hydroxytoluene(CHEBI:24751); ISA:toluenes(CHEBI:27024); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);