EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220181 - Chrysosporazine L

ChEBI IDCHEBI:220181
ChEBI NameChrysosporazine L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H30N2O5
Net Charge0
Average Mass510.590
Monoisotopic Mass510.21547
SMILESCOc1cc([C@H]2/C(=C/c3ccccc3)C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2
InChIInChI=1S/C31H30N2O5/c1-20(34)32-18-26-29(23-15-27(36-2)30-28(16-23)37-19-38-30)25(14-22-11-7-4-8-12-22)31(35)33(26)17-24(32)13-21-9-5-3-6-10-21/h3-12,14-16,24,26,29H,13,17-19H2,1-2H3/b25-14-/t24-,26+,29-/m0/s1
InChIKeyVIDPPJILURFWHU-DZZLYHNRSA-N
Species of MetaboliteComponentSourceComments
Chrysosporiumspecies (ncbitaxon:40412) - PubMed (31975579)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine L (CHEBI:220181) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(3S,7Z,8S,8aS)-2-acetyl-3-benzyl-7-benzylidene-8-(7-methoxy-1,3-benzodioxol-5-yl)-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-6-one