CHEBI:220166 - Chrysosporazine J

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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 J
ChEBI ID CHEBI:220166
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H30N2O5
Net Charge 0
Average Mass 510.590
Monoisotopic Mass 510.21547
InChI InChI=1S/C31H30N2O5/c1-18(34)32-16-23-26-22-14-24-29(38-17-37-24)30(36-2)27(22)25(20-11-7-4-8-12-20)28(26)31(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,25-26,28H,13,15-17H2,1-2H3/t21-,23+,25-,26+,28+/m0/s1
InChIKey VTOITEGQWZFNRK-NCPBTPGXSA-N
SMILES O=C1N2[C@H](CN(C(=O)C)[C@H](C2)CC3=CC=CC=C3)[C@@H]4[C@H]1[C@@H](C5=CC=CC=C5)C=6C(OC)=C7OCOC7=CC46
Metabolite of Species Details
Chrysosporiumspecies (NCBI:txid40412) See: PubMed
ChEBI Ontology
Outgoing Chrysosporazine J (CHEBI:220166) is a benzodioxoles (CHEBI:38298)
IUPAC Name
(2R,3S,6S,10R,11S)-5-acetyl-6-benzyl-13-methoxy-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one
Manual Xref Database
81369490 ChemSpider
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