CHEBI:206082 - Heterocornol N

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ChEBI Name Heterocornol N
ChEBI ID CHEBI:206082
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-9(15)14(10(2)16)7-6-11-4-3-5-13(17)12(11)8-18-14/h3-7,9-10,15-17H,8H2,1-2H3/t9-,10-/m0/s1
InChIKey UEEVQJXLTKWXMX-UWVGGRQHSA-N
SMILES O1C(C=CC=2C(C1)=C(O)C=CC2)([C@@H](O)C)[C@@H](O)C
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: PubMed
ChEBI Ontology
Outgoing Heterocornol N (CHEBI:206082) is a oxacycle (CHEBI:38104)
IUPAC Name
3,3-bis[(1S)-1-hydroxyethyl]-1H-2-benzoxepin-9-ol