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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4656 - Disenecionyl cis-khellactone
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ChEBI Ontology
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ChEBI Name
Disenecionyl cis-khellactone
ChEBI ID
CHEBI:4656
Stars
This entity has been manually annotated by a third party.
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Formula
C24H26O7
Net Charge
0
Average Mass
426.460
Monoisotopic Mass
426.16785
InChI
InChI=1S/C24H26O7/c1-
13(2)
11-
18(26)
29-
22-
20-
16(9-
7-
15-
8-
10-
17(25)
28-
21(15)
20)
31-
24(5,6)
23(22)
30-
19(27)
12-
14(3)
4/h7-
12,22-
23H,1-
6H3/t22-
,23-
/m1/s1
InChIKey
UHWIZIJICYWABA-DHIUTWEWSA-N
SMILES
CC(C)=CC(=O)O[C@H]1[C@@H](OC(=O)C=C(C)C)C(C)(C)Oc2ccc3ccc(=O)oc3c12
ChEBI Ontology
Outgoing
Disenecionyl cis-khellactone (
CHEBI:4656
)
is a
coumarins (
CHEBI:23403
)
Synonym
Source
Disenecionyl cis-khellactone
KEGG COMPOUND
Manual Xrefs
Databases
C00002469
KNApSAcK
C09261
KEGG COMPOUND
View more database links
Registry Number
Type
Source
54676-88-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014