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CHEBI:209933 - Emestrin L

ChEBI IDCHEBI:209933
ChEBI NameEmestrin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O6S2
Net Charge0
Average Mass476.576
Monoisotopic Mass476.10758
SMILESCS[C@@]1(Cc2ccccc2O)NC(=O)[C@]2(SC)CC3=COC=C[C@H](OC(C)=O)[C@H]3N2C1=O
InChIInChI=1S/C22H24N2O6S2/c1-13(25)30-17-8-9-29-12-15-11-22(32-3)19(27)23-21(31-2,20(28)24(22)18(15)17)10-14-6-4-5-7-16(14)26/h4-9,12,17-18,26H,10-11H2,1-3H3,(H,23,27)/t17-,18-,21+,22+/m0/s1
InChIKeyHRNBWHFGVJCUEM-MOXQZVSFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32110865)
ChEBI Ontology
Outgoing Relation(s)
Emestrin L (CHEBI:209933) has functional parent α-amino acid (CHEBI:33704)
Emestrin L (CHEBI:209933) is a organonitrogen compound (CHEBI:35352)
Emestrin L (CHEBI:209933) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,4R,7R,14S)-4-[(2-hydroxyphenyl)methyl]-4,7-bis(methylsulanyl)-3,6-dioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-dien-14-yl] acetate
Manual XrefsDatabases
81424692ChemSpider