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CHEBI:211187 - Mangrovamide F

ChEBI IDCHEBI:211187
ChEBI NameMangrovamide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O2
Net Charge0
Average Mass431.580
Monoisotopic Mass431.25728
SMILESCC(C)=CC(=O)c1cccc2c3c(nc12)C(C)(C)[C@@H]1C[C@]24C[C@@H](C)CN2C[C@@]1(C3)NC4=O
InChIInChI=1S/C27H33N3O2/c1-15(2)9-20(31)18-8-6-7-17-19-11-26-14-30-13-16(3)10-27(30,24(32)29-26)12-21(26)25(4,5)23(19)28-22(17)18/h6-9,16,21,28H,10-14H2,1-5H3,(H,29,32)/t16-,21+,26-,27+/m1/s1
InChIKeyUEDWZMYNGYEVPL-QITKANGBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2017.11.038)
ChEBI Ontology
Outgoing Relation(s)
Mangrovamide F (CHEBI:211187) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,13S,15S,17R)-12,12,17-trimethyl-8-(3-methylbut-2-enoyl)-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4(9),5,7-tetraen-22-one