CHEBI:7453 - Nagilactone C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nagilactone C
ChEBI ID CHEBI:7453
Stars This entity has been manually annotated by a third party.
Supplier Information
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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