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ChEBI
> Main
CHEBI:7889 - paeoniflorin
Main
ChEBI Ontology
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ChEBI Name
paeoniflorin
ChEBI ID
CHEBI:7889
Stars
This entity has been manually annotated by a third party.
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Formula
C23H28O11
Net Charge
0
Average Mass
480.463
Monoisotopic Mass
480.16316
InChI
InChI=1S/C23H28O11/c1-
20-
9-
22(29)
13-
7-
23(20,32-
18-
16(27)
15(26)
14(25)
12(8-
24)
31-
18)
21(13,19(33-
20)
34-
22)
10-
30-
17(28)
11-
5-
3-
2-
4-
6-
11/h2-
6,12-
16,18-
19,24-
27,29H,7-
10H2,1H3/t12-
,13-
,14-
,15+,16-
,18+,19-
,20+,21+,22-
,23+/m1/s1
InChIKey
YKRGDOXKVOZESV-WRJNSLSBSA-N
SMILES
C[C@@]
12C[C@@]
3(O)
O[C@@H]
(O1)
[C@]
1(COC(=O)
c4ccccc4)
[C@H]
3C[C@]
21O[C@@H]
1O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
1O
ChEBI Ontology
Outgoing
paeoniflorin (
CHEBI:7889
)
is a
terpene glycoside (
CHEBI:61777
)
Incoming
6'-
O
-acetylpaeoniflorin (
CHEBI:132815
)
has functional parent
paeoniflorin (
CHEBI:7889
)
paeoniflorin sulfonate (
CHEBI:132817
)
has functional parent
paeoniflorin (
CHEBI:7889
)
Synonym
Source
Paeoniflorin
KEGG COMPOUND
Manual Xrefs
Databases
C00003011
KNApSAcK
C09959
KEGG COMPOUND
View more database links
Registry Number
Type
Source
23180-57-6
CAS Registry Number
KEGG COMPOUND
Last Modified
20 January 2017