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> Main
CHEBI:132792 - lactiflorin
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ChEBI Ontology
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ChEBI Name
lactiflorin
ChEBI ID
CHEBI:132792
Definition
An organic heteropentacyclic compound with formula C
23
H
26
O
10
, 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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Formula
C23H26O10
Net Charge
0
Average Mass
462.447
Monoisotopic Mass
462.15260
InChI
InChI=1S/C23H26O10/c1-
21-
23(33-
20-
18(32-
21)
17(27)
16(26)
14(9-
24)
30-
20)
8-
12-
13(25)
7-
15(31-
21)
22(12,23)
10-
29-
19(28)
11-
5-
3-
2-
4-
6-
11/h2-
6,12,14-
18,20,24,26-
27H,7-
10H2,1H3/t12-
,14+,15+,16+,17-
,18+,20-
,21+,22-
,23-
/m0/s1
InChIKey
AGRYIZUKIKYUFX-DNITZUGTSA-N
SMILES
O1[C@@]
2([H]
)
[C@]
3([C@]
4(O[C@@]
5(O[C@@H]
([C@@H]
(O)
[C@H]
(O)
[C@]
5(O[C@@]
14C)
[H]
)
CO)
[H]
)
C[C@]
3(C(C2)
=O)
[H]
)
COC(C=6C=CC=CC6)
=O
Metabolite of Species
Details
Paeonia lactiflora
(NCBI:txid35924)
Found in root
(BTO:0001188)
. See:
PubMed
Paeonia anomala
(NCBI:txid40698)
See:
PubMed
Paeonia sinjiangensis
(NCBI:txid69719)
Found in root
(BTO:0001188)
. 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
lactiflorin (
CHEBI:132792
)
has role
plant metabolite (
CHEBI:76924
)
lactiflorin (
CHEBI:132792
)
is a
benzoate ester (
CHEBI:36054
)
lactiflorin (
CHEBI:132792
)
is a
bridged compound (
CHEBI:35990
)
lactiflorin (
CHEBI:132792
)
is a
cyclic ketal (
CHEBI:59779
)
lactiflorin (
CHEBI:132792
)
is a
cyclic ketone (
CHEBI:3992
)
lactiflorin (
CHEBI:132792
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
IUPAC Name
[(2a
R
,3a
R
,4a
R
,5
S
,6
S
,7
R
,8a
S
,9a
R
,10a
R
,10b
R
)-
5,6-
dihydroxy-
7-
(hydroxymethyl)-
3a-
methyl-
1-
oxooctahydro-
3a
H
,5
H
-
3,4,8,9-
tetraoxacyclobuta[1,6]pentaleno[1,2-
b
]naphthalen-
10b(1
H
)-
yl]methyl benzoate
Synonym
Source
(+)-lactiflorin
ChEBI
Manual Xrefs
Databases
14605198
PubChem
C00011060
KNApSAcK
View more database links
Registry Numbers
Types
Sources
22270746
Reaxys Registry Number
Reaxys
88623-95-4
CAS Registry Number
KNApSAcK
Citations
Types
Sources
15015302
PubMed citation
Europe PMC
15506284
PubMed citation
Europe PMC
22190295
PubMed citation
Europe PMC
22653868
PubMed citation
Europe PMC
27796322
PubMed citation
Europe PMC
8717280
PubMed citation
Europe PMC
Last Modified
18 January 2017