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CHEBI:210106 - Chrysosporazine C

ChEBI IDCHEBI:210106
ChEBI NameChrysosporazine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28N2O5
Net Charge0
Average Mass484.552
Monoisotopic Mass484.19982
SMILESCOc1cc([C@H]2c3ccccc3C(=O)N3C[C@H](Cc4ccccc4)N(C(C)=O)C[C@H]23)cc2c1OCO2
InChIInChI=1S/C29H28N2O5/c1-18(32)30-16-24-27(20-13-25(34-2)28-26(14-20)35-17-36-28)22-10-6-7-11-23(22)29(33)31(24)15-21(30)12-19-8-4-3-5-9-19/h3-11,13-14,21,24,27H,12,15-17H2,1-2H3/t21-,24+,27-/m0/s1
InChIKeySLVWEXQROXQSAD-WBWMCNGVSA-N
Species of MetaboliteComponentSourceComments
Chrysosporium (ncbitaxon:40411) - PubMed (31544463)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine C (CHEBI:210106) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(3S,11S,11aS)-2-acetyl-3-benzyl-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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77421568ChemSpider