CHEBI:204109 - Penicillivinacine

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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 Penicillivinacine
ChEBI ID CHEBI:204109
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O4
Net Charge 0
Average Mass 382.460
Monoisotopic Mass 382.18926
InChI InChI=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
InChIKey DQBLPIKDHLUJNM-OSOBELDVSA-N
SMILES O=C1N2C(O[C@H](C=CC)[C@@H]3[C@H]2[C@H](CCC3)C)(O)C(=O)NC1=CC4=CC=CC=C4
Metabolite of Species Details
Penicillium vinaceum (NCBI:txid69790) See: DOI
ChEBI Ontology
Outgoing 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