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CHEBI:199772 - Mycorrhizin B1

ChEBI IDCHEBI:199772
ChEBI NameMycorrhizin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15BrO4
Net Charge0
Average Mass327.174
Monoisotopic Mass326.01537
SMILESC/C=C(\Br)C1=CC(=O)[C@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O
InChIInChI=1S/C14H15BrO4/c1-4-8(15)7-5-10(16)13-6-9(13)12(2,3)19-14(13,18)11(7)17/h4-5,9,18H,6H2,1-3H3/b8-4-/t9-,13-,14+/m0/s1
InChIKeyRKJJPBKKHSHSSQ-NMACGQAHSA-N
Species of MetaboliteComponentSourceComments
Lachnum (ncbitaxon:47817) - PubMed (7706125)
ChEBI Ontology
Outgoing Relation(s)
Mycorrhizin B1 (CHEBI:199772) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1aR,3aS,7aS)-5-[(Z)-1-bromoprop-1-enyl]-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzouran-4,7-dione
Manual XrefsDatabases
8511998ChemSpider