CHEBI:198504 - Okaramine P

ChEBI IDCHEBI:198504
ChEBI NameOkaramine P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34N4O4
Net Charge0
Average Mass538.648
Monoisotopic Mass538.25801
SMILESCC(C)=CCc1cccc2c1N[C@@H]1N3C(=O)[C@@H]4[C@@H](O)c5c(nc6ccccc56)C(C)(C)/C=C\N4C(=O)[C@@H]3C[C@]21O
InChIInChI=1S/C32H34N4O4/c1-17(2)12-13-18-8-7-10-20-24(18)34-30-32(20,40)16-22-28(38)35-15-14-31(3,4)27-23(19-9-5-6-11-21(19)33-27)26(37)25(35)29(39)36(22)30/h5-12,14-15,22,25-26,30,33-34,37,40H,13,16H2,1-4H3/b15-14-/t22-,25-,26-,30+,32-/m0/s1
InChIKeyUGFNMKNEBPTNSN-ICWYFLNUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (10705454)
ChEBI Ontology
Outgoing Relation(s)
Okaramine P (CHEBI:198504) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,12S,14S,17Z,29S)-12,29-dihydroxy-19,19-dimethyl-7-(3-methylbut-2-enyl)-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-6,8,10,17,20(28),22,24,26-octaene-2,15-dione
Manual XrefsDatabases
78436363ChemSpider