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CHEBI:208655 - Marcfortine A

ChEBI IDCHEBI:208655
ChEBI NameMarcfortine A
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FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESCN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc1c4OC=CC(C)(C)O1)C(C)(C)[C@@H]2C3
InChIInChI=1S/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28+/m0/s1
InChIKeyKYKUTNUWXQVSSU-ZALBMCOMSA-N
Species of MetaboliteComponentSourceComments
Penicillium roqueforti (ncbitaxon:5082) - DOI (10.1039/c39800000601)
ChEBI Ontology
Outgoing Relation(s)
Marcfortine A (CHEBI:208655) is a organic heterobicyclic compound (CHEBI:27171)
Marcfortine A (CHEBI:208655) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(1'S,8R,8'S,10'S)-4,4,11',11',14'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,12'-3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-9,15'-dione
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9158840ChemSpider