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CHEBI:217295 - Spiropchaeglobosin A

ChEBI IDCHEBI:217295
ChEBI NameSpiropchaeglobosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40N2O6
Net Charge0
Average Mass560.691
Monoisotopic Mass560.28864
SMILESCOC(=O)[C@H]1CC(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@]12C(=O)[C@H](C)[C@@H](C)[C@H]1[C@H](Cc3cnc4ccccc34)NC(=O)[C@@H]12
InChIInChI=1S/C33H40N2O6/c1-17-9-8-12-33(23(32(40)41-5)15-26(36)29(37)18(2)13-17)28-27(19(3)20(4)30(33)38)25(35-31(28)39)14-21-16-34-24-11-7-6-10-22(21)24/h6-8,10-13,16-17,19-20,23,25,27-29,34,37H,9,14-15H2,1-5H3,(H,35,39)/b12-8+,18-13+/t17-,19+,20+,23+,25-,27-,28+,29+,33-/m0/s1
InChIKeyGRKUKBPKYXQJHQ-GTRUIGSESA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (33270452)
ChEBI Ontology
Outgoing Relation(s)
Spiropchaeglobosin A (CHEBI:217295) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl (1S,1'S,3'E,3aS,4R,6R,6'S,7S,7'E,7aR,9'R)-9'-hydroxy-1-(1H-indol-3-ylmethyl)-6,6',7,8'-tetramethyl-3,5,10'-trioxospiro[1,2,3a,6,7,7a-hexahydroisoindole-4,2'-cycloundeca-3,7-diene]-1'-carboxylate