CHEBI:209371 - Curtachalasin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Curtachalasin D
ChEBI ID CHEBI:209371
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H33NO4
Net Charge 0
Average Mass 459.586
Monoisotopic Mass 459.24096
InChI InChI=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
InChIKey RHXNYQWMXHLUMG-JTXVQHMISA-N
SMILES O=C1N[C@@H]([C@@H]2C=3C=C4C(=C(O)[C@H](CC4=CC3[C@H]([C@]1([C@H]2C)C)OC)C)C(=O)C)CC5=CC=CC=C5
Metabolite of Species Details
Xylaria (NCBI:txid37991) See: PubMed
ChEBI Ontology
Outgoing 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