Mycorrhizin B1 (CHEBI:199772)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 B1

ChEBI ID	CHEBI:199772

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H15BrO4

Net Charge

Average Mass

327.174

Monoisotopic Mass

326.01537

InChI

InChI=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

InChIKey

RKJJPBKKHSHSSQ-NMACGQAHSA-N

SMILES

Br/C(/C=1C(=O)[C@]2(OC(C)(C)[C@H]3[C@@]2(C3)C(C1)=O)O)=C\C

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

ChEBI Ontology
Outgoing	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