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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10061 - Xanthinin
Main
ChEBI Ontology
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ChEBI Name
Xanthinin
ChEBI ID
CHEBI:10061
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C17H22O5
Net Charge
0
Average Mass
306.354
Monoisotopic Mass
306.14672
InChI
InChI=1S/C17H22O5/c1-
9-
7-
15-
14(11(3)
17(20)
22-
15)
6-
5-
13(9)
16(8-
10(2)
18)
21-
12(4)
19/h5,9,14-
16H,3,6-
8H2,1-
2,4H3/t9-
,14+,15-
,16?/m0/s1
InChIKey
DPSCQKGSAHTWSP-LPVYDGHXSA-N
SMILES
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1C(CC(C)=O)OC(C)=O
ChEBI Ontology
Outgoing
Xanthinin (
CHEBI:10061
)
is a
sesquiterpene lactone (
CHEBI:37667
)
Synonym
Source
Xanthinin
KEGG COMPOUND
Manual Xrefs
Databases
C00000313
KNApSAcK
C09602
KEGG COMPOUND
View more database links
Registry Number
Type
Source
580-49-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014