EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219393 - Monocillinol A

ChEBI IDCHEBI:219393
ChEBI NameMonocillinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO5
Net Charge0
Average Mass239.227
Monoisotopic Mass239.07937
SMILESC=C1O[C@@H]2CC(C(=O)OC)=C[C@H](O)[C@H]2NC1=O
InChIInChI=1S/C11H13NO5/c1-5-10(14)12-9-7(13)3-6(11(15)16-2)4-8(9)17-5/h3,7-9,13H,1,4H2,2H3,(H,12,14)/t7-,8+,9+/m0/s1
InChIKeyYROMSAHWZXGDKR-DJLDLDEBSA-N
Species of MetaboliteComponentSourceComments
Monocilliumspecies (ncbitaxon:2077188) - DOI (10.1016/s0040-4039(00)01252-1)
ChEBI Ontology
Outgoing Relation(s)
Monocillinol A (CHEBI:219393) is a benzoxazine (CHEBI:46969)
IUPAC Name 
methyl (4aR,5S,8aR)-5-hydroxy-2-methylidene-3-oxo-4a,5,8,8a-tetrahydro-4H-1,4-benzoxazine-7-carboxylate
Manual XrefsDatabases
8212802ChemSpider