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CHEBI:213978 - Diaporthichalasin H

ChEBI IDCHEBI:213978
ChEBI NameDiaporthichalasin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO5
Net Charge0
Average Mass493.644
Monoisotopic Mass493.28282
SMILESCC(=O)OCC1=C[C@@H]2/C=C/C[C@H](C)C[C@H](C)/C=C/[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccc(O)cc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C30H39NO5/c1-18-6-5-7-24-16-23(17-36-21(4)32)20(3)28-26(15-22-9-11-25(33)12-10-22)31-29(35)30(24,28)27(34)13-8-19(2)14-18/h5,7-13,16,18-20,24,26-28,33-34H,6,14-15,17H2,1-4H3,(H,31,35)/b7-5+,13-8+/t18-,19+,20+,24-,26-,27+,28-,30+/m0/s1
InChIKeyMXNKDAVEHMJDTC-PULVDKHCSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (32437736)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Diaporthichalasin H (CHEBI:213978) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
[(1S,2R,3E,5S,7S,9E,11S,14S,15R,16S)-2-hydroxy-16-[(4-hydroxyphenyl)methyl]-5,7,14-trimethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-13-yl]methyl acetate