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CHEBI:212297 - 29-hydroxyechinulin

ChEBI IDCHEBI:212297
ChEBI Name29-hydroxyechinulin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39N3O3
Net Charge0
Average Mass477.649
Monoisotopic Mass477.29914
SMILESC=CC(C)(C)c1nc2c(C/C=C(\C)CO)cc(CC=C(C)C)cc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C29H39N3O3/c1-8-29(6,7)26-23(15-24-28(35)30-19(5)27(34)31-24)22-14-20(11-9-17(2)3)13-21(25(22)32-26)12-10-18(4)16-33/h8-10,13-14,19,24,32-33H,1,11-12,15-16H2,2-7H3,(H,30,35)(H,31,34)/b18-10+/t19-,24-/m0/s1
InChIKeyMVKGYZYBPOAFAE-JTOWPZHPSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (28125012)
ChEBI Ontology
Outgoing Relation(s)
29-hydroxyechinulin (CHEBI:212297) is a indoles (CHEBI:24828)
IUPAC Name 
(3S,6S)-3-[[7-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual XrefsDatabases
61362107ChemSpider