EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217880 - Paraherquamide H

ChEBI IDCHEBI:217880
ChEBI NameParaherquamide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N3O5
Net Charge0
Average Mass491.588
Monoisotopic Mass491.24202
SMILESC[C@H]1CC(=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/C28H33N3O5/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/h7-10,15,18H,11-14H2,1-6H3,(H,29,33)/t15-,18-,26+,27+,28+/m0/s1
InChIKeySQFAENHNCOYHRZ-QPSLRDMESA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis gilva YIM 90087 (ncbitaxon:1235441) - PubMed (16608209)
ChEBI Ontology
Outgoing Relation(s)
Paraherquamide H (CHEBI:217880) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,6'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]tetradecane]-4',9,14'-trione