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CHEBI:209375 - Curtachalasin E

ChEBI IDCHEBI:209375
ChEBI NameCurtachalasin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO5
Net Charge0
Average Mass463.574
Monoisotopic Mass463.23587
SMILESCC(=O)[C@@]1(O)[C@H](O)c2cc3c(cc2C[C@@H]1C)[C@H](O)[C@@]1(C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C
InChIInChI=1S/C28H33NO5/c1-14-10-18-12-21-20(13-19(18)25(32)28(14,34)16(3)30)23-15(2)27(4,24(21)31)26(33)29-22(23)11-17-8-6-5-7-9-17/h5-9,12-15,22-25,31-32,34H,10-11H2,1-4H3,(H,29,33)/t14-,15+,22-,23+,24-,25+,27-,28+/m0/s1
InChIKeyDWEAXJSWOXGYOH-JNECKYFKSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (30681869)
ChEBI Ontology
Outgoing Relation(s)
Curtachalasin E (CHEBI:209375) is a piperidines (CHEBI:26151)
IUPAC Name 
(1R,5R,6S,7S,12S,13S,16S,17R)-6-acetyl-16-benzyl-5,6,12-trihydroxy-7,13,17-trimethyl-15-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,9-trien-14-one