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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69831 - ostruthol
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ChEBI Ontology
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ChEBI Name
ostruthol
ChEBI ID
CHEBI:69831
Definition
A natural product found in
Peucedanum ostruthium
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H22O7
Net Charge
0
Average Mass
386.39520
Monoisotopic Mass
386.13655
InChI
InChI=1S/C21H22O7/c1-
5-
12(2)
20(23)
28-
17(21(3,4)
24)
11-
26-
19-
13-
6-
7-
18(22)
27-
16(13)
10-
15-
14(19)
8-
9-
25-
15/h5-
10,17,24H,11H2,1-
4H3/b12-
5-
/t17-
/m1/s1
InChIKey
WXULKGXQMWVWMP-OMLDUKLJSA-N
SMILES
C\C=C(\C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
Metabolite of Species
Details
Peucedanum ostruthium
(NCBI:txid1000424)
Found in rhizome
(BTO:0001181)
. Dichloromethane extract of dried, powdered roots and rhizomes See:
PubMed
Peucedanum ostruthium
(NCBI:txid1000424)
Found in root
(BTO:0001188)
. Dichloromethane extract of dried, powdered roots and rhizomes 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
ostruthol (
CHEBI:69831
)
has role
metabolite (
CHEBI:25212
)
ostruthol (
CHEBI:69831
)
is a
furanocoumarin (
CHEBI:24128
)
Synonym
Source
(R-
(Z))-
(2-
Hydroxy-
2-
methyl-
1-
(((7-
oxo-
7H-
furo(3,2-
g)(1)benzopyran-
4-
yl)oxy)methyl)propyl) 2-
methyl-
2-
butenoate
ChEBI
Registry Number
Type
Source
642-08-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21627108
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:psoralens(CHEBI:26369); ISA:1-benzopyran(CHEBI:38443); ISA:benzofurans(CHEBI:35259); ISA:fatty acid ester(CHEBI:35748); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:furans(CHEBI:24129); ISA:lactone(CHEBI:25000); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);