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ChEBI
> Main
CHEBI:70489 - (7'
S
)-parabenzlactone
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ChEBI Name
(7'
S
)-parabenzlactone
ChEBI ID
CHEBI:70489
ChEBI ASCII Name
(7'S)-parabenzlactone
Definition
A lignan isolated from the leaves
Piper sanguineispicum
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H18O7
Net Charge
0
Average Mass
370.35270
Monoisotopic Mass
370.10525
InChI
InChI=1S/C20H18O7/c21-
19(12-
2-
4-
16-
18(7-
12)
27-
10-
25-
16)
14-
8-
23-
20(22)
13(14)
5-
11-
1-
3-
15-
17(6-
11)
26-
9-
24-
15/h1-
4,6-
7,13-
14,19,21H,5,8-
10H2/t13-
,14+,19-
/m1/s1
InChIKey
NHMODCAASJDQKF-BIENJYKASA-N
SMILES
O[C@@H]([C@H]1COC(=O)[C@@H]1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1
Metabolite of Species
Details
Piper sanguineispicum
(IPNI:199083-2)
Found in leaf
(BTO:0000713)
. 90% ethanolic extract of dried leaves See:
PubMed
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
(7'
S
)-parabenzlactone (
CHEBI:70489
)
has role
plant metabolite (
CHEBI:76924
)
(7'
S
)-parabenzlactone (
CHEBI:70489
)
is a
γ-lactone (
CHEBI:37581
)
(7'
S
)-parabenzlactone (
CHEBI:70489
)
is a
benzodioxoles (
CHEBI:38298
)
(7'
S
)-parabenzlactone (
CHEBI:70489
)
is a
lignan (
CHEBI:25036
)
IUPAC Name
(3
R
,4
R
)-
4-
[(
S
)-
(2
H
-
1,3-
benzodioxol-
5-
yl)(hydroxy)methyl]-
3-
[(2
H
-
1,3-
benzodioxol-
5-
yl)methyl]oxolan-
2-
one
Registry Number
Type
Source
11003333
Reaxys Registry Number
Reaxys
Citation
Type
Source
20954722
PubMed citation
Europe PMC
Last Modified
15 April 2015