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CHEBI:217589 - Aspochalazine A

ChEBI IDCHEBI:217589
ChEBI NameAspochalazine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36N2O5
Net Charge0
Average Mass432.561
Monoisotopic Mass432.26242
SMILESCC1=C[C@@H]2[C@@H]3[C@@]4(N[C@@](O)(CC4=O)[C@]24C(=O)N[C@@H](CC(C)C)[C@@H]4[C@@H]1C)[C@H](O)CC[C@@]3(C)O
InChIInChI=1S/C24H36N2O5/c1-11(2)8-15-18-13(4)12(3)9-14-19-21(5,30)7-6-16(27)24(19)17(28)10-22(31,26-24)23(14,18)20(29)25-15/h9,11,13-16,18-19,26-27,30-31H,6-8,10H2,1-5H3,(H,25,29)/t13-,14-,15+,16-,18+,19+,21-,22-,23-,24-/m1/s1
InChIKeyKIBZWQUXTPVHRM-SEWODSEPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2017.04.071)
ChEBI Ontology
Outgoing Relation(s)
Aspochalazine A (CHEBI:217589) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(1R,2R,5R,6R,7R,10S,11R,12S,15S,16R)-2,5,16-trihydroxy-5,9,10-trimethyl-12-(2-methylpropyl)-13,19-diazapentacyclo[14.2.1.01,6.07,15.011,15]nonadec-8-ene-14,18-dione
Manual XrefsDatabases
59718413ChemSpider