CHEBI:206869 - Benzophomopsin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Benzophomopsin A
ChEBI ID CHEBI:206869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H12O3
Net Charge 0
Average Mass 204.225
Monoisotopic Mass 204.07864
InChI InChI=1S/C12H12O3/c1-8-12(15-8)6-5-9-3-2-4-11(13)10(9)7-14-12/h2-6,8,13H,7H2,1H3
InChIKey OTIAMLFJMRYJPA-UHFFFAOYSA-N
SMILES O1C2(OC2C)C=CC=3C(C1)=C(O)C=CC3
Metabolite of Species Details
Phomopsisspecies (NCBI:txid1715245) See: PubMed
ChEBI Ontology
Outgoing Benzophomopsin A (CHEBI:206869) is a phenols (CHEBI:33853)
IUPAC Name
3'-methylspiro[1H-2-benzoxepine-3,2'-oxirane]-9-ol
Manual Xref Database
28286909 ChemSpider
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