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CHEBI:211347 - Schizine B

ChEBI IDCHEBI:211347
ChEBI NameSchizine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26N2O5
Net Charge0
Average Mass446.503
Monoisotopic Mass446.18417
SMILESCC1(C)C[C@@H]2OC(=O)[C@H](Cc3cnc4ccccc34)N=C2[C@@]23C(=O)OC4OCC(=CC[C@@H]12)[C@H]43
InChIInChI=1S/C26H26N2O5/c1-25(2)10-18-21(26-19(25)8-7-13-12-31-23(20(13)26)33-24(26)30)28-17(22(29)32-18)9-14-11-27-16-6-4-3-5-15(14)16/h3-7,11,17-20,23,27H,8-10,12H2,1-2H3/t17-,18-,19-,20+,23?,26+/m0/s1
InChIKeyKJGOXXYRSAWVEF-LNXYMLJESA-N
Species of MetaboliteComponentSourceComments
Schizophyllum commune (ncbitaxon:5334) - PubMed (25951057)
ChEBI Ontology
Outgoing Relation(s)
Schizine B (CHEBI:211347) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(1R,4S,7S,10S,19S)-4-(1H-indol-3-ylmethyl)-9,9-dimethyl-6,15,17-trioxa-3-azapentacyclo[11.5.1.01,10.02,7.016,19]nonadeca-2,12-diene-5,18-dione
Manual XrefsDatabases
58859713ChemSpider