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CHEBI:224584 - Paraherquamide B

ChEBI IDCHEBI:224584
ChEBI NameParaherquamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O4
Net Charge0
Average Mass463.578
Monoisotopic Mass463.24711
SMILESCN1C(=O)[C@@]23CCCN2C[C@@]12CC1(C(=O)Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)[C@@H]2C3
InChIInChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-21(31)27(16)14-26-15-30-11-6-9-25(30,22(32)29(26)5)13-18(26)24(27,3)4/h7-8,10,12,18H,6,9,11,13-15H2,1-5H3,(H,28,31)/t18-,25-,26+,27?/m0/s1
InChIKeyJPDNNPOSGMWCHG-PGGSNAJPSA-N
Species of MetaboliteComponentSourceComments
Penicillium charlesii (ncbitaxon:69767) - PubMed (2272915)
ChEBI Ontology
Outgoing Relation(s)
Paraherquamide B (CHEBI:224584) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,7'S,9'S)-4,4,10',10',13'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione