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CHEBI:224564 - Paraherquamide F

ChEBI IDCHEBI:224564
ChEBI NameParaherquamide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O3
Net Charge0
Average Mass461.606
Monoisotopic Mass461.26784
SMILESC[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6C=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4C
InChIInChI=1S/C28H35N3O3/c1-16-10-12-31-15-26-14-27(25(4,5)20(26)13-28(16,31)23(33)30(26)6)18-7-8-19-17(21(18)29-22(27)32)9-11-24(2,3)34-19/h7-9,11,16,20H,10,12-15H2,1-6H3,(H,29,32)/t16-,20-,26+,27+,28+/m0/s1
InChIKeyHHDYWLZQNLNPNX-UNGBKTFNSA-N
Species of MetaboliteComponentSourceComments
Penicillium charlesii (ncbitaxon:69767) - PubMed (2272915)
ChEBI Ontology
Outgoing Relation(s)
Paraherquamide F (CHEBI:224564) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,6'S,7'R,9'S)-6',7,7,10',10',13'-hexamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,14'-dione