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CHEBI:204787 - Mollenine B

ChEBI IDCHEBI:204787
ChEBI NameMollenine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28N2O4
Net Charge0
Average Mass396.487
Monoisotopic Mass396.20491
SMILESCC(C)=CC[C@@]12C[C@@H]3C(=O)O[C@H](CC(C)C)C(=O)N3[C@@H]1N(C=O)c1ccccc12
InChIInChI=1S/C23H28N2O4/c1-14(2)9-10-23-12-18-21(28)29-19(11-15(3)4)20(27)25(18)22(23)24(13-26)17-8-6-5-7-16(17)23/h5-9,13,15,18-19,22H,10-12H2,1-4H3/t18-,19-,22+,23+/m1/s1
InChIKeyXHYHTGJZXZEXDW-VKGYTVAMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (9644070)
ChEBI Ontology
Outgoing Relation(s)
Mollenine B (CHEBI:204787) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(1S,4R,7R,9S)-9-(3-methylbut-2-enyl)-4-(2-methylpropyl)-3,6-dioxo-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde
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8962243ChemSpider