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ChEBI
> Main
CHEBI:132789 - oxypaeoniflorin
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ChEBI Ontology
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ChEBI Name
oxypaeoniflorin
ChEBI ID
CHEBI:132789
Definition
A monoterpene glycoside with formula C
23
H
28
O
12
, isolated from several species of
Paeoniae
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Molfile
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Formula
C23H28O12
Net Charge
0
Average Mass
496.462
Monoisotopic Mass
496.15808
InChI
InChI=1S/C23H28O12/c1-
20-
8-
22(30)
13-
6-
23(20,33-
18-
16(28)
15(27)
14(26)
12(7-
24)
32-
18)
21(13,19(34-
20)
35-
22)
9-
31-
17(29)
10-
2-
4-
11(25)
5-
3-
10/h2-
5,12-
16,18-
19,24-
28,30H,6-
9H2,1H3/t12-
,13-
,14-
,15+,16-
,18+,19-
,20+,21+,22-
,23+/m1/s1
InChIKey
FCHVXNVDFYXLIL-WRJNSLSBSA-N
SMILES
[C@@H]
1([C@@H]
([C@H]
([C@@H]
([C@H]
(O1)
CO)
O)
O)
O)
O[C@@]
23[C@]
4([C@@]
(C2)
([C@@]
5(O[C@]
4(O[C@]
3(C5)
C)
[H]
)
O)
[H]
)
COC(C6=CC=C(C=C6)
O)
=O
Metabolite of Species
Details
Paeonia lactiflora
(NCBI:txid35924)
Found in root
(BTO:0001188)
. See:
PubMed
Paeonia lactiflora
(NCBI:txid35924)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia delavayi
(NCBI:txid40707)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia obovata
var.
japonica
(NCBI:txid40709)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia obovata
(NCBI:txid40716)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia suffruticosa
(NCBI:txid45171)
Found in root
(BTO:0001188)
. See:
PubMed
Paeonia suffruticosa
(NCBI:txid45171)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia ludlowii
(NCBI:txid459176)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia ostii
(NCBI:txid459177)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia qiui
(NCBI:txid459178)
Found in seed
(BTO:0001226)
. See:
PubMed
Paeonia rockii
(NCBI:txid62886)
Found in seed
(BTO:0001226)
. See:
PubMed
Glycyrrhiza uralensis
(NCBI:txid74613)
Found in root
(BTO:0001188)
. See:
PubMed
Glycyrrhiza uralensis
(NCBI:txid74613)
Found in rhizome
(BTO:0001181)
. 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
oxypaeoniflorin (
CHEBI:132789
)
has role
plant metabolite (
CHEBI:76924
)
oxypaeoniflorin (
CHEBI:132789
)
is a
β-
D
-glucoside (
CHEBI:22798
)
oxypaeoniflorin (
CHEBI:132789
)
is a
4-hydroxybenzoate ester (
CHEBI:79323
)
oxypaeoniflorin (
CHEBI:132789
)
is a
bridged compound (
CHEBI:35990
)
oxypaeoniflorin (
CHEBI:132789
)
is a
cyclic acetal (
CHEBI:59770
)
oxypaeoniflorin (
CHEBI:132789
)
is a
lactol (
CHEBI:38131
)
oxypaeoniflorin (
CHEBI:132789
)
is a
monoterpene glycoside (
CHEBI:72293
)
IUPAC Name
[(1a
R
,2
S
,3a
R
,5
R
,5a
R
,5b
S
)-
1a-
(β-
D
-
glucopyranosyloxy)-
5-
hydroxy-
2-
methyltetrahydro-
1
H
-
2,5-
methano-
3,4-
dioxacyclobuta[
cd
]pentalen-
5b(3a
H
)-
yl]methyl 4-
hydroxybenzoate
Manual Xref
Database
C00033281
KNApSAcK
View more database links
Registry Numbers
Types
Sources
39011-91-1
CAS Registry Number
ChemIDplus
7504628
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20580804
PubMed citation
Europe PMC
20822014
PubMed citation
Europe PMC
22547314
PubMed citation
Europe PMC
23497864
PubMed citation
Europe PMC
23524166
PubMed citation
Europe PMC
23738461
PubMed citation
Europe PMC
23831700
PubMed citation
Europe PMC
23867078
PubMed citation
Europe PMC
24610256
PubMed citation
Europe PMC
24927419
PubMed citation
Europe PMC
25011060
PubMed citation
Europe PMC
25044951
PubMed citation
Europe PMC
25335282
PubMed citation
Europe PMC
25431610
PubMed citation
Europe PMC
25800193
PubMed citation
Europe PMC
26323145
PubMed citation
Europe PMC
26366057
PubMed citation
Europe PMC
26838074
PubMed citation
Europe PMC
Last Modified
17 January 2017