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CHEBI:213999 - Mycorrhizin B2

ChEBI IDCHEBI:213999
ChEBI NameMycorrhizin B2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14BrClO4
Net Charge0
Average Mass361.619
Monoisotopic Mass359.97640
SMILESC/C=C(\Br)C1=C(Cl)C(=O)[C@]23C[C@H]2C(C)(C)O[C@]3(O)C1=O
InChIInChI=1S/C14H14BrClO4/c1-4-6(15)8-9(16)11(18)13-5-7(13)12(2,3)20-14(13,19)10(8)17/h4,7,19H,5H2,1-3H3/b6-4-/t7-,13-,14+/m0/s1
InChIKeyAHZMOBNOWMRQQO-KMZDEDONSA-N
Species of MetaboliteComponentSourceComments
Lachnum (ncbitaxon:47817) - PubMed (7706125)
ChEBI Ontology
Outgoing Relation(s)
Mycorrhizin B2 (CHEBI:213999) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1aR,3aS,7aS)-5-[(Z)-1-bromoprop-1-enyl]-6-chloro-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzouran-4,7-dione
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8219705ChemSpider