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CHEBI:222141 - Shornephine A

ChEBI IDCHEBI:222141
ChEBI NameShornephine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26N2O5
Net Charge0
Average Mass434.492
Monoisotopic Mass434.18417
SMILESC=CC(C)(C)[C@]12Nc3c(O)cccc3[C@@]1(O)C[C@H]1C(=O)O[C@@H](Cc3ccccc3)C(=O)N12
InChIInChI=1S/C25H26N2O5/c1-4-23(2,3)25-24(31,16-11-8-12-18(28)20(16)26-25)14-17-22(30)32-19(21(29)27(17)25)13-15-9-6-5-7-10-15/h4-12,17,19,26,28,31H,1,13-14H2,2-3H3/t17-,19-,24-,25+/m0/s1
InChIKeyVMKCIRAJEVFSFR-LQTXRJQHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25158286)
ChEBI Ontology
Outgoing Relation(s)
Shornephine A (CHEBI:222141) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(1R,4S,7S,9S)-4-benzyl-9,14-dihydroxy-1-(2-methylbut-3-en-2-yl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10(15),11,13-triene-3,6-dione
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8370355ChemSpider