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CHEBI:210401 - Okaramine I

ChEBI IDCHEBI:210401
ChEBI NameOkaramine I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H24N4O3
Net Charge0
Average Mass452.514
Monoisotopic Mass452.18484
SMILESCC1(C)/C=C\N2C(=O)[C@H]3C[C@@]4(O)c5ccccc5N[C@H]4N3C(=O)/C2=C/c2c1nc1ccccc21
InChIInChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3/b12-11-,20-13-/t21-,25+,27-/m1/s1
InChIKeyCTRNZLRKISVIAG-LBJKZLEUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (10075772)
ChEBI Ontology
Outgoing Relation(s)
Okaramine I (CHEBI:210401) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1Z,4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione
Manual XrefsDatabases
8751008ChemSpider