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CHEBI:211183 - Mangrovamide E

ChEBI IDCHEBI:211183
ChEBI NameMangrovamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O5
Net Charge0
Average Mass493.604
Monoisotopic Mass493.25767
SMILESC[C@H]1CN2[C@@H](O)[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/C28H35N3O5/c1-14-9-26-11-18-25(4,5)27(13-28(18,30(6)22(26)34)23(35)31(26)12-14)15-7-8-17-19(20(15)29-21(27)33)16(32)10-24(2,3)36-17/h7-8,14,18,23,35H,9-13H2,1-6H3,(H,29,33)/t14-,18+,23+,26+,27-,28+/m1/s1
InChIKeyBZDSGPYPWVHLIA-CFFPQQHXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2017.11.038)
ChEBI Ontology
Outgoing Relation(s)
Mangrovamide E (CHEBI:211183) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,2'S,3R,5'R,7'S,9'S)-2'-hydroxy-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