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CHEBI:210095 - Chrysosporazine A

ChEBI IDCHEBI:210095
ChEBI NameChrysosporazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20N2O5
Net Charge0
Average Mass392.411
Monoisotopic Mass392.13722
SMILESCOc1cc([C@H]2c3ccccc3C(=O)N3C=CN(C(C)=O)C[C@H]23)cc2c1OCO2
InChIInChI=1S/C22H20N2O5/c1-13(25)23-7-8-24-17(11-23)20(15-5-3-4-6-16(15)22(24)26)14-9-18(27-2)21-19(10-14)28-12-29-21/h3-10,17,20H,11-12H2,1-2H3/t17-,20+/m1/s1
InChIKeyXXMYEEZJCBJUQK-XLIONFOSSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium (ncbitaxon:40411) - PubMed (31544463)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine A (CHEBI:210095) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(11S,11aS)-2-acetyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-11,11a-dihydro-1H-pyrazino[1,2-b]isoquinolin-6-one
Manual XrefsDatabases
77421566ChemSpider