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CHEBI:217950 - Mangrovamide A

ChEBI IDCHEBI:217950
ChEBI NameMangrovamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESC[C@H]1CN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6C(=O)CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4C
InChIInChI=1S/C28H35N3O4/c1-15-9-26-11-19-25(4,5)28(13-27(19,14-31(26)12-15)30(6)23(26)34)16-7-8-18-20(21(16)29-22(28)33)17(32)10-24(2,3)35-18/h7-8,15,19H,9-14H2,1-6H3,(H,29,33)/t15-,19+,26+,27-,28-/m1/s1
InChIKeyIQJMIHBSMIPBRL-CJPPBLRISA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2014.04.043)
ChEBI Ontology
Outgoing Relation(s)
Mangrovamide A (CHEBI:217950) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,5'R,7'S,9'S)-5',7,7,10',10',13'-hexamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione
Manual XrefsDatabases
32675149ChemSpider