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CHEBI:226983 - Curtachalasin O

ChEBI IDCHEBI:226983
ChEBI NameCurtachalasin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO7
Net Charge0
Average Mass521.610
Monoisotopic Mass521.24135
SMILESCC(=O)O[C@@H]1[C@H]2[C@H](C=C3C(=O)C(C)=C(C)[C@H]4[C@H](Cc5ccccc5)NC(=O)[C@]314)C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O
InChIInChI=1S/C30H35NO7/c1-14-11-20-13-21-25(34)16(3)15(2)24-22(12-19-9-7-6-8-10-19)31-28(36)29(21,24)27(38-18(5)33)23(20)26(35)30(14,37)17(4)32/h6-10,13-14,20,22-24,26-27,35,37H,11-12H2,1-5H3,(H,31,36)/t14-,20-,22-,23-,24-,26+,27+,29-,30+/m0/s1
InChIKeyNZCTUXDSROTKOV-RSPPTQNKSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin O (CHEBI:226983) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2R,3S,4R,5S,6S,8S,14R,15S)-5-acetyl-15-benzyl-4,5-dihydroxy-6,12,13-trimethyl-11,17-dioxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadeca-9,12-dien-2-yl] acetate