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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10076 - Xerantholide
Main
ChEBI Ontology
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ChEBI Name
Xerantholide
ChEBI ID
CHEBI:10076
Stars
This entity has been manually annotated by a third party.
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Formula
C15H18O3
Net Charge
0
Average Mass
246.302
Monoisotopic Mass
246.12559
InChI
InChI=1S/C15H18O3/c1-
7-
4-
14-
12(9(3)
15(17)
18-
14)
5-
11-
8(2)
13(16)
6-
10(7)
11/h7,10,12,14H,3-
6H2,1-
2H3/t7-
,10-
,12+,14-
/m0/s1
InChIKey
UQNONRHPSCIIJO-BNYHBGRESA-N
SMILES
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
ChEBI Ontology
Outgoing
Xerantholide (
CHEBI:10076
)
is a
sesquiterpene lactone (
CHEBI:37667
)
Synonym
Source
Xerantholide
KEGG COMPOUND
Manual Xrefs
Databases
C00003396
KNApSAcK
C09605
KEGG COMPOUND
View more database links
Registry Number
Type
Source
65017-97-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014