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CHEBI:210101 - Chrysosporazine B

ChEBI IDCHEBI:210101
ChEBI NameChrysosporazine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26N2O6
Net Charge0
Average Mass498.535
Monoisotopic Mass498.17909
SMILESCOc1cc([C@H]2c3ccccc3C(=O)N3C[C@H](C(=O)c4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2
InChIInChI=1S/C29H26N2O6/c1-17(32)30-14-22-26(19-12-24(35-2)28-25(13-19)36-16-37-28)20-10-6-7-11-21(20)29(34)31(22)15-23(30)27(33)18-8-4-3-5-9-18/h3-13,22-23,26H,14-16H2,1-2H3/t22-,23-,26+/m1/s1
InChIKeyIDANOMWCBLGPHR-PLXFJCCSSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium (ncbitaxon:40411) - PubMed (31544463)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine B (CHEBI:210101) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(3R,11S,11aS)-2-acetyl-3-benzoyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-6-one
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77421567ChemSpider