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CHEBI:223178 - Paraherquamide I

ChEBI IDCHEBI:223178
ChEBI NameParaherquamide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31N3O5
Net Charge0
Average Mass489.572
Monoisotopic Mass489.22637
SMILESCC1=CC(=O)N2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C
InChIInChI=1S/C28H31N3O5/c1-15-11-19(32)31-14-26-13-27(25(4,5)18(26)12-28(15,31)23(34)30(26)6)16-7-8-17-21(20(16)29-22(27)33)35-10-9-24(2,3)36-17/h7-11,18H,12-14H2,1-6H3,(H,29,33)/t18-,26+,27+,28+/m0/s1
InChIKeyJGNFKKUKKXSBJH-VZCHTHDKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (16608209)
ChEBI Ontology
Outgoing Relation(s)
Paraherquamide I (CHEBI:223178) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,7'R,8R,9'S)-4,4,6',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradec-5-ene]-4',9,14'-trione