Mycorrhizin B2 (CHEBI:213999)

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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	Mycorrhizin B2

ChEBI ID	CHEBI:213999

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14BrClO4

Net Charge

Average Mass

361.620

Monoisotopic Mass

359.97640

InChI

InChI=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

InChIKey

AHZMOBNOWMRQQO-KMZDEDONSA-N

SMILES

Br/C(/C1=C(Cl)C(=O)[C@@]23[C@@H](C2)C(O[C@@]3(C1=O)O)(C)C)=C\C

Metabolite of Species	Details
Lachnum (NCBI:txid47817)	See: PubMed

ChEBI Ontology
Outgoing	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