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CHEBI:217104 - Notoamide P

Default Structure
ChEBI IDCHEBI:217104
ChEBI NameNotoamide P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30BrN3O5
Net Charge0
Average Mass544.446
Monoisotopic Mass543.13688
SMILESC=CC(C)(C)[C@@]12Nc3c(cc(Br)c4c3C=CC(C)(C)O4)[C@]1(O)C[C@]1(O)C(=O)N3CCC[C@H]3C(=O)N21
InChIInChI=1S/C26H30BrN3O5/c1-6-22(2,3)26-24(33,13-25(34)21(32)29-11-7-8-17(29)20(31)30(25)26)15-12-16(27)19-14(18(15)28-26)9-10-23(4,5)35-19/h6,9-10,12,17,28,33-34H,1,7-8,11,13H2,2-5H3/t17-,24+,25-,26-/m0/s1
InChIKeyCMOVPBJSCURJDN-RRGUOAIQSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (20795742)
ChEBI Ontology
Outgoing Relation(s)
Notoamide P (CHEBI:217104) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,13S,16S,22S)-4-bromo-1,22-dihydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.05,10.014,22.016,20]tricosa-2,4,8,10-tetraene-15,21-dione
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27025037ChemSpider