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CHEBI:7453 - Nagilactone C
Main
ChEBI Ontology
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ChEBI Name
Nagilactone C
ChEBI ID
CHEBI:7453
Stars
This entity has been manually annotated by a third party.
Supplier Information
ZINC000095881735
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Formula
C19H22O7
Net Charge
0
Average Mass
362.375
Monoisotopic Mass
362.13655
InChI
InChI=1S/C19H22O7/c1-
6(2)
11-
9-
7(5-
8(20)
24-
11)
18(3)
14-
12(10(9)
21)
26-
17(23)
19(14,4)
15(22)
13-
16(18)
25-
13/h5-
6,10,12-
16,21-
22H,1-
4H3/t10-
,12-
,13+,14-
,15+,16+,18-
,19-
/m1/s1
InChIKey
DGNOPGIIPQKNHD-PAFIYYKWSA-N
SMILES
CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O
ChEBI Ontology
Outgoing
Nagilactone C (
CHEBI:7453
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
Nagilactone C (
CHEBI:7453
)
is a
organooxygen compound (
CHEBI:36963
)
Synonym
Source
Nagilactone C
KEGG COMPOUND
Manual Xrefs
Databases
C00000270
KNApSAcK
C09138
KEGG COMPOUND
View more database links
Registry Number
Type
Source
24338-53-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014