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CHEBI:209371 - Curtachalasin D

ChEBI IDCHEBI:209371
ChEBI NameCurtachalasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33NO4
Net Charge0
Average Mass459.586
Monoisotopic Mass459.24096
SMILESCO[C@@H]1c2cc3c(cc2[C@H]2[C@@H](Cc4ccccc4)NC(=O)[C@]1(C)[C@H]2C)C(C(C)=O)=C(O)[C@@H](C)C3
InChIInChI=1S/C29H33NO4/c1-15-11-19-13-22-21(14-20(19)25(17(3)31)26(15)32)24-16(2)29(4,27(22)34-5)28(33)30-23(24)12-18-9-7-6-8-10-18/h6-10,13-16,23-24,27,32H,11-12H2,1-5H3,(H,30,33)/t15-,16-,23+,24-,27+,29+/m0/s1
InChIKeyRHXNYQWMXHLUMG-JTXVQHMISA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (30681869)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin D (CHEBI:209371) is a piperidines (CHEBI:26151)
IUPAC Name 
(1S,7S,12R,13R,16R,17S)-5-acetyl-16-benzyl-6-hydroxy-12-methoxy-7,13,17-trimethyl-15-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,9-tetraen-14-one