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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:8333 - Populin
Main
ChEBI Ontology
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ChEBI Name
Populin
ChEBI ID
CHEBI:8333
Stars
This entity has been manually annotated by a third party.
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Formula
C20H22O8
Net Charge
0
Average Mass
390.385
Monoisotopic Mass
390.13147
InChI
InChI=1S/C20H22O8/c21-
10-
13-
8-
4-
5-
9-
14(13)
27-
20-
18(24)
17(23)
16(22)
15(28-
20)
11-
26-
19(25)
12-
6-
2-
1-
3-
7-
12/h1-
9,15-
18,20-
24H,10-
11H2/t15-
,16-
,17+,18-
,20-
/m1/s1
InChIKey
HHSKNLJWHGXWPK-BFMVXSJESA-N
SMILES
C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](COC(C3=CC=CC=C3)=O)O2)O)O)O)C(=CC=CC1)CO
ChEBI Ontology
Outgoing
Populin (
CHEBI:8333
)
is a
glycoside (
CHEBI:24400
)
Synonyms
Sources
6'-
O
-benzoylsalicin
ChEBI
Populin
KEGG COMPOUND
populoside
ChEBI
Manual Xrefs
Databases
83713
ChemSpider
C00002667
KNApSAcK
C10823
KEGG COMPOUND
View more database links
Registry Number
Type
Source
99-17-2
CAS Registry Number
KEGG COMPOUND
Last Modified
22 June 2017