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CHEBI:227003 - Curtachalasin H

ChEBI IDCHEBI:227003
ChEBI NameCurtachalasin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESCC(=O)OC1[C@H]2C(=C[C@H]3[C@@H](O)C(C)=C(C)[C@H]4[C@H](Cc5ccccc5)NC(=O)[C@@]134)C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O
InChIInChI=1S/C30H37NO7/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/h6-10,13-14,21-27,34-35,37H,11-12H2,1-5H3,(H,31,36)/t14-,21-,22-,23-,24-,25-,26+,27?,29-,30+/m0/s1
InChIKeyABHQOBWTOVOPRN-BOCPRGGISA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31408074)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin H (CHEBI:227003) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,3S,4R,5S,6S,10R,11R,14R,15S)-5-acetyl-15-benzyl-4,5,11-trihydroxy-6,12,13-trimethyl-17-oxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadeca-8,12-dien-2-yl] acetate