CHEBI:227313 - Peniciherquamide C

ChEBI IDCHEBI:227313
ChEBI NamePeniciherquamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O3
Net Charge0
Average Mass447.579
Monoisotopic Mass447.25219
SMILESC[C@H]1CCN2C[C@]34Cc5c(nc6c7c(ccc56)OC(C)(C)CC7=O)C(C)(C)[C@@H]3C[C@]12C(=O)N4
InChIInChI=1S/C27H33N3O3/c1-14-8-9-30-13-26-10-16-15-6-7-18-20(17(31)11-24(2,3)33-18)21(15)28-22(16)25(4,5)19(26)12-27(14,30)23(32)29-26/h6-7,14,19,28H,8-13H2,1-5H3,(H,29,32)/t14-,19-,26+,27+/m0/s1
InChIKeyMXLMYJLWDVPGLC-OHHVPEFZSA-N
Species of MetaboliteComponentSourceComments
Penicillium herquei (ncbitaxon:69774) - PubMed (26848504)
ChEBI Ontology
Outgoing Relation(s)
Peniciherquamide C (CHEBI:227313) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,17S,19R,20S)-9,9,16,16,20-pentamethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12)-tetraene-11,26-dione