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CHEBI:207170 - Marcfortine B

ChEBI IDCHEBI:207170
ChEBI NameMarcfortine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O4
Net Charge0
Average Mass463.578
Monoisotopic Mass463.24711
SMILESCC1(C)C=COc2c(ccc3c2NC(=O)[C@@]32C[C@@]34CN5CCCC[C@]5(C[C@@H]3C2(C)C)C(=O)N4)O1
InChIInChI=1S/C27H33N3O4/c1-23(2)10-12-33-20-17(34-23)8-7-16-19(20)28-22(32)27(16)14-25-15-30-11-6-5-9-26(30,21(31)29-25)13-18(25)24(27,3)4/h7-8,10,12,18H,5-6,9,11,13-15H2,1-4H3,(H,28,32)(H,29,31)/t18-,25-,26+,27-/m1/s1
InChIKeySGIZPBSMKAKPSO-KVPGOQOISA-N
Species of MetaboliteComponentSourceComments
Penicillium roqueforti (ncbitaxon:5082) - DOI (10.1016/s0040-4039(01)92883-7)
ChEBI Ontology
Outgoing Relation(s)
Marcfortine B (CHEBI:207170) is a quinolizidines (CHEBI:26516)
IUPAC Name 
(1'S,8R,8'S,10'R)-4,4,11',11'-tetramethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,12'-3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-9,15'-dione