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CHEBI:220160 - Chrysosporazine I

ChEBI IDCHEBI:220160
ChEBI NameChrysosporazine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32N2O9
Net Charge0
Average Mass600.624
Monoisotopic Mass600.21078
SMILESCOc1cc(C[C@H]2CN3C(=O)[C@@]4(O[C@H]4c4ccccc4)[C@H](c4cc(OC)c5c(c4)OCO5)[C@H]3CN2C(C)=O)cc2c1OCO2
InChIInChI=1S/C33H32N2O9/c1-18(36)34-15-23-28(21-12-25(39-3)30-27(13-21)41-17-43-30)33(31(44-33)20-7-5-4-6-8-20)32(37)35(23)14-22(34)9-19-10-24(38-2)29-26(11-19)40-16-42-29/h4-8,10-13,22-23,28,31H,9,14-17H2,1-3H3/t22-,23+,28+,31-,33+/m0/s1
InChIKeyIKMTWSYMQMGXCQ-HGSJAIJISA-N
Species of MetaboliteComponentSourceComments
Chrysosporiumspecies (ncbitaxon:40412) - PubMed (31975579)
ChEBI Ontology
Outgoing Relation(s)
Chrysosporazine I (CHEBI:220160) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(3S,3'S,7R,8R,8aS)-2-acetyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3'-phenylspiro[3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-7,2'-oxirane]-6-one
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