CHEBI:210095 - Chrysosporazine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chrysosporazine A
ChEBI ID CHEBI:210095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H20N2O5
Net Charge 0
Average Mass 392.411
Monoisotopic Mass 392.13722
InChI InChI=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
InChIKey XXMYEEZJCBJUQK-XLIONFOSSA-N
SMILES O=C1N2C=CN(C(=O)C)C[C@@H]2[C@@H](C3=CC(OC)=C4OCOC4=C3)C5=C1C=CC=C5
Metabolite of Species Details
Chrysosporium (NCBI:txid40411) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
77421566 ChemSpider
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