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CHEBI:204109 - Penicillivinacine

ChEBI IDCHEBI:204109
ChEBI NamePenicillivinacine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O4
Net Charge0
Average Mass382.460
Monoisotopic Mass382.18926
SMILESCC=C[C@H]1OC2(O)C(=O)NC(=Cc3ccccc3)C(=O)N2[C@H]2[C@@H]1CCC[C@@H]2C
InChIInChI=1S/C22H26N2O4/c1-3-8-18-16-12-7-9-14(2)19(16)24-20(25)17(13-15-10-5-4-6-11-15)23-21(26)22(24,27)28-18/h3-6,8,10-11,13-14,16,18-19,27H,7,9,12H2,1-2H3,(H,23,26)/t14-,16+,18+,19+,22?/m0/s1
InChIKeyDQBLPIKDHLUJNM-OSOBELDVSA-N
Species of MetaboliteComponentSourceComments
Penicillium vinaceum (ncbitaxon:69790) - DOI (10.1016/j.phytol.2015.05.014)
ChEBI Ontology
Outgoing Relation(s)
Penicillivinacine (CHEBI:204109) has functional parent α-amino acid (CHEBI:33704)
Penicillivinacine (CHEBI:204109) is a organonitrogen compound (CHEBI:35352)
Penicillivinacine (CHEBI:204109) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,3S,7S,8R)-13-benzylidene-10-hydroxy-3-methyl-8-prop-1-enyl-9-oxa-1,12-diazatricyclo[8.4.0.02,7]tetradecane-11,14-dione