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CHEBI:209815 - Okaramine O

Default Structure
ChEBI IDCHEBI:209815
ChEBI NameOkaramine O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34N4O4
Net Charge0
Average Mass538.648
Monoisotopic Mass538.25801
SMILESC=CC(C)(C)N1c2ccccc2[C@@]2(O)C[C@H]3C(=O)N4/C=C\C(C)(C)c5nc6ccccc6c5[C@H](O)[C@H]4C(=O)N3[C@@H]12
InChIInChI=1S/C32H34N4O4/c1-6-31(4,5)36-21-14-10-8-12-19(21)32(40)17-22-27(38)34-16-15-30(2,3)26-23(18-11-7-9-13-20(18)33-26)25(37)24(34)28(39)35(22)29(32)36/h6-16,22,24-25,29,33,37,40H,1,17H2,2-5H3/b16-15-/t22-,24-,25-,29-,32-/m0/s1
InChIKeyAGEIPFHTGOFAIQ-IYIRQFPTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (10705454)
ChEBI Ontology
Outgoing Relation(s)
Okaramine O (CHEBI:209815) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,4R,12S,14S,17Z,29S)-12,29-dihydroxy-19,19-dimethyl-5-(2-methylbut-3-en-2-yl)-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
78437404ChemSpider