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> Main
CHEBI:132790 - α-benzoyloxypaeoniflorin
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ChEBI Name
α-benzoyloxypaeoniflorin
ChEBI ID
CHEBI:132790
ChEBI ASCII Name
alpha-benzoyloxypaeoniflorin
Definition
A monoterpene glycoside with formula C
30
H
32
O
13
, originally isolated from
Paeonia suffruticosa
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C30H32O13
Net Charge
0
Average Mass
600.568
Monoisotopic Mass
600.18429
InChI
InChI=1S/C30H32O13/c1-
27-
13-
29(37)
19-
11-
30(27,28(19,26(42-
27)
43-
29)
14-
39-
24(36)
16-
7-
9-
17(31)
10-
8-
16)
41-
25-
22(34)
21(33)
20(32)
18(40-
25)
12-
38-
23(35)
15-
5-
3-
2-
4-
6-
15/h2-
10,18-
22,25-
26,31-
34,37H,11-
14H2,1H3/t18-
,19-
,20-
,21+,22-
,25-
,26-
,27+,28+,29-
,30+/m1/s1
InChIKey
VIWQCBZFJFSCLC-PEROMJSHSA-N
SMILES
[C@H]
1([C@@H]
([C@H]
([C@@H]
([C@H]
(O1)
COC(C=2C=CC=CC2)
=O)
O)
O)
O)
O[C@@]
34[C@]
5([C@@]
(C3)
([C@@]
6(O[C@]
5(O[C@]
4(C6)
C)
[H]
)
O)
[H]
)
COC(C7=CC=C(C=C7)
O)
=O
Metabolite of Species
Details
Paeonia suffruticosa
(NCBI:txid45171)
See:
PubMed
Roles Classification
Chemical Role
(s):
radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
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
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
has role
plant metabolite (
CHEBI:76924
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
has role
radical scavenger (
CHEBI:48578
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
α-
D
-glucoside (
CHEBI:22390
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
4-hydroxybenzoate ester (
CHEBI:79323
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
O
-acyl carbohydrate (
CHEBI:52782
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
bridged compound (
CHEBI:35990
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
cyclic acetal (
CHEBI:59770
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
lactol (
CHEBI:38131
)
α-benzoyloxypaeoniflorin (
CHEBI:132790
)
is a
monoterpene glycoside (
CHEBI:72293
)
IUPAC Name
[(1a
R
,2
S
,3a
R
,5
R
,5a
R
,5b
S
)-
1a-
[(6-
O
-
benzoyl-
α-
D
-
glucopyranosyl)oxy]-
5-
hydroxy-
2-
methyltetrahydro-
1
H
-
2,5-
methano-
3,4-
dioxacyclobuta[
cd
]pentalen-
5b(3a
H
)-
yl]methyl 4-
hydroxybenzoate
Synonyms
Sources
α-6'-benzoyloxypaeoniflorin
ChEBI
α-oxypaeoniflorin 6'-benzoate
ChEBI
benzoyloxypaeoniflorin
ChEBI
Citation
Type
Source
11339628
PubMed citation
Europe PMC
Last Modified
17 January 2017