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CHEBI:197774 - Monocillinol B

ChEBI IDCHEBI:197774
ChEBI NameMonocillinol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO5
Net Charge0
Average Mass239.227
Monoisotopic Mass239.07937
SMILESC=C1O[C@@H]2C=C(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/h4,7-9,13H,1,3H2,2H3,(H,12,14)/t7-,8+,9+/m0/s1
InChIKeyMRTLVFNBTBKYFV-DJLDLDEBSA-N
Species of MetaboliteComponentSourceComments
Monocilliumspecies (ncbitaxon:2077188) - DOI (10.1016/s0040-4039(00)01252-1)
ChEBI Ontology
Outgoing Relation(s)
Monocillinol B (CHEBI:197774) is a benzoxazine (CHEBI:46969)
IUPAC Name 
methyl (4aR,5S,8aR)-5-hydroxy-2-methylidene-3-oxo-4a,5,6,8a-tetrahydro-4H-1,4-benzoxazine-7-carboxylate
Manual XrefsDatabases
78436131ChemSpider