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CHEBI:227035 - Curtachalasin N

ChEBI IDCHEBI:227035
ChEBI NameCurtachalasin N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO6
Net Charge0
Average Mass479.573
Monoisotopic Mass479.23079
SMILESCC(=O)[C@@]1(O)[C@H](O)[C@@H]2[C@H](C=C3C(=O)C(C)=C(C)[C@H]4[C@H](Cc5ccccc5)NC(=O)[C@@]34[C@@H]2O)C[C@@H]1C
InChIInChI=1S/C28H33NO6/c1-13-10-18-12-19-23(31)15(3)14(2)22-20(11-17-8-6-5-7-9-17)29-26(34)27(19,22)24(32)21(18)25(33)28(13,35)16(4)30/h5-9,12-13,18,20-22,24-25,32-33,35H,10-11H2,1-4H3,(H,29,34)/t13-,18-,20-,21+,22-,24+,25+,27-,28+/m0/s1
InChIKeyAXICCLNAOAYGGU-HUUFCUPOSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin N (CHEBI:227035) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2R,3R,4R,5S,6S,8S,14R,15S)-5-acetyl-15-benzyl-2,4,5-trihydroxy-6,12,13-trimethyl-16-azatetracyclo[8.7.0.01,14.03,8]heptadeca-9,12-diene-11,17-dione