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CHEBI:219971 - Acetylaranotin

ChEBI IDCHEBI:219971
ChEBI NameAcetylaranotin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20N2O8S2
Net Charge0
Average Mass504.542
Monoisotopic Mass504.06611
SMILESCC(=O)OC1C=COC=C2CC34SSC5(CC6=COC=CC(OC(C)=O)C6N5C3=O)C(=O)N4C21
InChIInChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3
InChIKeyOHTZNUUGYPDWEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1271/bbb1961.47.2637)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acetylaranotin (CHEBI:219971) is a 2,5-diketopiperazines (CHEBI:65061)
Acetylaranotin (CHEBI:219971) is a indoles (CHEBI:24828)
Acetylaranotin (CHEBI:219971) is a organic disulfide (CHEBI:35489)
Acetylaranotin (CHEBI:219971) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate
Manual XrefsDatabases
141705ChemSpider