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CHEBI:200867 - Asterrelenin

ChEBI IDCHEBI:200867
ChEBI NameAsterrelenin
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SubmitterMetaboLights
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FormulaC25H25N3O4
Net Charge0
Average Mass431.492
Monoisotopic Mass431.18451
SMILESC=CC(C)(C)[C@@]12C[C@]3(O)C(=O)Nc4ccccc4C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C25H25N3O4/c1-5-23(3,4)24-14-25(32)21(31)26-18-12-8-6-10-16(18)20(30)28(25)22(24)27(15(2)29)19-13-9-7-11-17(19)24/h5-13,22,32H,1,14H2,2-4H3,(H,26,31)/t22-,24+,25-/m0/s1
InChIKeyVQSXFZXCXRKORH-CAOCKLPOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (16124769)
ChEBI Ontology
Outgoing Relation(s)
Asterrelenin (CHEBI:200867) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
Manual XrefsDatabases
9872428ChemSpider