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CHEBI:211177 - Mangrovamide D

ChEBI IDCHEBI:211177
ChEBI NameMangrovamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N3O5
Net Charge0
Average Mass491.588
Monoisotopic Mass491.24202
SMILESC[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C28H33N3O5/c1-14-9-26-11-18-25(4,5)28(12-27(18,30(6)23(26)35)13-31(26)21(14)33)15-7-8-17-19(20(15)29-22(28)34)16(32)10-24(2,3)36-17/h7-8,14,18H,9-13H2,1-6H3,(H,29,34)/t14-,18+,26+,27-,28-/m1/s1
InChIKeyOCDHXMNIGVKHJP-ZCMKOHGVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2017.11.038)
ChEBI Ontology
Outgoing Relation(s)
Mangrovamide D (CHEBI:211177) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,5'R,7'R,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]-2,4',9,14'-tetrone