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CHEBI:204277 - Mangrovamide C

ChEBI IDCHEBI:204277
ChEBI NameMangrovamide C
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SubmitterMetaboLights
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FormulaC27H33N3O3
Net Charge0
Average Mass447.579
Monoisotopic Mass447.25219
SMILESC[C@H]1CN2C[C@]34Cc5c(nc6c7c(ccc56)OC(C)(C)CC7=O)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4
InChIInChI=1S/C27H33N3O3/c1-14-8-27-11-19-25(4,5)22-16(9-26(19,29-23(27)32)13-30(27)12-14)15-6-7-18-20(21(15)28-22)17(31)10-24(2,3)33-18/h6-7,14,19,28H,8-13H2,1-5H3,(H,29,32)/t14-,19+,26-,27+/m1/s1
InChIKeyYWLUOKNUCHQDAC-DPEAJVMMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2014.04.043)
ChEBI Ontology
Outgoing Relation(s)
Mangrovamide C (CHEBI:204277) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,17S,19S,21R)-9,9,16,16,21-pentamethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12)-tetraene-11,26-dione
Manual XrefsDatabases
32675151ChemSpider