EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207129 - Okaramine D

ChEBI IDCHEBI:207129
ChEBI NameOkaramine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H34N4O6
Net Charge0
Average Mass582.657
Monoisotopic Mass582.24783
SMILESCO[C@@H]1[C@]2(O)C(=O)N3/C=C\C(C)(C)c4nc5ccccc5c4/C=C\3C(=O)N2[C@]23[C@H](CO)C(C)(C)N2c2ccccc2[C@]13O
InChIInChI=1S/C33H34N4O6/c1-29(2)14-15-35-23(16-19-18-10-6-8-12-21(18)34-25(19)29)26(39)37-32(42,28(35)40)27(43-5)31(41)20-11-7-9-13-22(20)36-30(3,4)24(17-38)33(31,36)37/h6-16,24,27,34,38,41-42H,17H2,1-5H3/b15-14-,23-16-/t24-,27+,31+,32+,33+/m1/s1
InChIKeyVIKRIYAAOWJXCT-ZLMSUABPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1271/bbb.59.246)
ChEBI Ontology
Outgoing Relation(s)
Okaramine D (CHEBI:207129) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1Z,4S,5R,14R,15S,16S,19Z)-14,16-dihydroxy-5-(hydroxymethyl)-15-methoxy-6,6,21,21-tetramethyl-3,7,18,23-tetrazaoctacyclo[16.13.0.03,16.04,7.04,14.08,13.022,30.024,29]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
Manual XrefsDatabases
65104344ChemSpider