CHEBI:5676 - Heritonin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Heritonin
ChEBI ID CHEBI:5676
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H18O3
Net Charge 0
Average Mass 258.313
Monoisotopic Mass 258.12559
InChI InChI=1S/C16H18O3/c1-8-6-14-15(10(3)16(17)19-14)12-5-9(2)13(18-4)7-11(8)12/h5,7-8,14H,6H2,1-4H3/t8-,14+/m1/s1
InChIKey CEVWVTGBJBHAMO-CLAHSXSESA-N
SMILES COc1cc2[C@H](C)C[C@@H]3OC(=O)C(C)=C3c2cc1C
ChEBI Ontology
Outgoing Heritonin (CHEBI:5676) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
Heritonin KEGG COMPOUND
Manual Xrefs Databases
C00002995 KNApSAcK
C09936 KEGG COMPOUND
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Registry Number Type Source
123914-48-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014