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CHEBI:227030 - Curtachalasin M

ChEBI IDCHEBI:227030
ChEBI NameCurtachalasin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO6
Net Charge0
Average Mass505.611
Monoisotopic Mass505.24644
SMILESC=C1C(C)=CC2=C[C@@H]3C[C@H](C)[C@@](O)(C(C)=O)[C@H](O)[C@H]3[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]13
InChIInChI=1S/C30H35NO6/c1-15-11-22-14-21-12-16(2)30(36,18(4)32)26(34)24(21)27(37-19(5)33)29(22)25(17(15)3)23(31-28(29)35)13-20-9-7-6-8-10-20/h6-11,14,16,21,23-27,34,36H,3,12-13H2,1-2,4-5H3,(H,31,35)/t16-,21-,23-,24-,25-,26+,27+,29-,30+/m0/s1
InChIKeyIFDYRBTYPFDGTL-RXIBWZRBSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin M (CHEBI:227030) 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-dimethyl-13-methylidene-17-oxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadeca-9,11-dien-2-yl] acetate