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CHEBI:206741 - Amauromine B

ChEBI IDCHEBI:206741
ChEBI NameAmauromine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30N4O4
Net Charge0
Average Mass498.583
Monoisotopic Mass498.22671
SMILESC=CC(C)(C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5(OC(C)=O)c6ccccc6N[C@@H]45)C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C29H30N4O4/c1-5-27(3,4)28-14-21-23(35)33-22(24(36)32(21)25(28)30-19-12-8-6-10-17(19)28)15-29(37-16(2)34)18-11-7-9-13-20(18)31-26(29)33/h5-13,21-22,25-26,30-31H,1,14-15H2,2-4H3/t21-,22-,25-,26-,28+,29+/m0/s1
InChIKeyOBNDPIBCOKHZNH-IDGURXKESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26567949)
ChEBI Ontology
Outgoing Relation(s)
Amauromine B (CHEBI:206741) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
[(1S,4S,12R,14S,17S,25R)-25-(2-methylbut-3-en-2-yl)-2,15-dioxo-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaen-12-yl] acetate
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78441461ChemSpider