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CHEBI:211327 - 6,12-epoxycytochalasin D

ChEBI IDCHEBI:211327
ChEBI Name6,12-epoxycytochalasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESCC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@]3(CO3)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312
InChIInChI=1S/C30H37NO7/c1-17-9-8-12-21-26(34)29(16-37-29)18(2)24-22(15-20-10-6-5-7-11-20)31-27(35)30(21,24)23(38-19(3)32)13-14-28(4,36)25(17)33/h5-8,10-14,17-18,21-24,26,34,36H,9,15-16H2,1-4H3,(H,31,35)/b12-8+,14-13+/t17-,18-,21-,22-,23+,24-,26-,28+,29-,30+/m0/s1
InChIKeyBURGJAXNKDCBTO-CMBSXFQGSA-N
Species of MetaboliteComponentSourceComments
Xylaria longipes (ncbitaxon:114818) - PubMed (31351910)
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)
6,12-epoxycytochalasin D (CHEBI:211327) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
[(1R,2R,3E,5R,7S,9E,11R,12S,13R,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-6,18-dioxospiro[17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-13,2'-oxirane]-2-yl] acetate