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ChEBI
> Main
CHEBI:145104 - viguilenin
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ChEBI Ontology
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ChEBI Name
viguilenin
ChEBI ID
CHEBI:145104
Definition
An organic heterocricyclic compound and germacranolide with formula C
20
H
30
O
7
isolated from
Viguiera linearis
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
Download
Molfile
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Molfile
Formula
C20H30O7
Net Charge
0
Average Mass
382.453
Monoisotopic Mass
382.19915
InChI
InChI=1S/C20H30O7/c1-
6-
10(2)
17(22)
26-
14-
8-
19(5)
15(21)
9-
20(24,27-
19)
11(3)
7-
13-
16(14)
12(4)
18(23)
25-
13/h10-
11,13-
16,21,24H,4,6-
9H2,1-
3,5H3/t10?,11-
,13+,14+,15-
,16-
,19-
,20-
/m0/s1
InChIKey
CSYYHGVTSAUQEW-TWMZRSPISA-N
SMILES
[C@]12([C@H](C[C@@]([C@H](C[C@H]3OC(C([C@@H]3[C@@H](C1)OC(=O)C(C)CC)=C)=O)C)(O2)O)O)C
Metabolite of Species
Details
Viguiera linearis
(NCBI:txid1048892)
See: Phytochemistry, 1980, v19, 1795
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
viguilenin (
CHEBI:145104
)
has role
plant metabolite (
CHEBI:76924
)
viguilenin (
CHEBI:145104
)
is a
γ-lactone (
CHEBI:37581
)
viguilenin (
CHEBI:145104
)
is a
bridged compound (
CHEBI:35990
)
viguilenin (
CHEBI:145104
)
is a
carboxylic ester (
CHEBI:33308
)
viguilenin (
CHEBI:145104
)
is a
cyclic hemiketal (
CHEBI:59780
)
viguilenin (
CHEBI:145104
)
is a
germacranolide (
CHEBI:73011
)
viguilenin (
CHEBI:145104
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
viguilenin (
CHEBI:145104
)
is a
secondary alcohol (
CHEBI:35681
)
viguilenin (
CHEBI:145104
)
is a
sesquiterpenoid (
CHEBI:26658
)
IUPAC Name
(1
S
,2
S
,4
R
,8
S
,9
R
,11
S
,12
S
)-
1,12-
dihydroxy-
2,11-
dimethyl-
7-
methylene-
6-
oxo-
5,14-
dioxatricyclo[9.2.1.0
4,8
]tetradecan-
9-
yl 2-
methylbutanoate
Manual Xref
Database
C00012155
KNApSAcK
View more database links
Registry Number
Type
Source
76627-97-9
CAS Registry Number
KNApSAcK
Last Modified
22 August 2023