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CHEBI:217956 - Mangrovamide B

ChEBI IDCHEBI:217956
ChEBI NameMangrovamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O5
Net Charge0
Average Mass493.604
Monoisotopic Mass493.25767
SMILESC[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(C[N+]2([O-])C1)N(C)C3=O)C(=O)Nc1c5ccc2c1C(=O)CC(C)(C)O2
InChIInChI=1S/C28H35N3O5/c1-15-9-27-11-19-25(4,5)28(13-26(19,30(6)23(27)34)14-31(27,35)12-15)16-7-8-18-20(21(16)29-22(28)33)17(32)10-24(2,3)36-18/h7-8,15,19H,9-14H2,1-6H3,(H,29,33)/t15-,19+,26-,27+,28-,31?/m1/s1
InChIKeyPTNVFKCMDYPMFP-ZLHVRMADSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2014.04.043)
ChEBI Ontology
Outgoing Relation(s)
Mangrovamide B (CHEBI:217956) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,5'R,7'S,9'S)-5',7,7,10',10',13'-hexamethyl-3'-oxidospiro[1,8-dihydropyrano[2,3-g]indole-3,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione
Manual XrefsDatabases
32675150ChemSpider