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CHEBI:210925 - 5-prenyl-dihydrovariecolorin F

ChEBI IDCHEBI:210925
ChEBI Name5-prenyl-dihydrovariecolorin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40ClN3O3
Net Charge0
Average Mass514.110
Monoisotopic Mass513.27582
SMILESC=CC(C)(C)c1nc2c(C[C@H](O)C(C)(C)Cl)cc(CC=C(C)C)cc2c1C[C@H]1NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C29H40ClN3O3/c1-9-28(5,6)25-21(15-22-27(36)31-17(4)26(35)32-22)20-13-18(11-10-16(2)3)12-19(24(20)33-25)14-23(34)29(7,8)30/h9-10,12-13,17,22-23,33-34H,1,11,14-15H2,2-8H3,(H,31,36)(H,32,35)/t17-,22-,23+/m1/s1
InChIKeyKORJXHWEJZNGQF-ZQMYSKGWSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SF-5976 (ncbitaxon:1729139) - DOI (10.1016/j.tet.2017.05.060)
ChEBI Ontology
Outgoing Relation(s)
5-prenyl-dihydrovariecolorin F (CHEBI:210925) is a indoles (CHEBI:24828)
IUPAC Name 
(3R,6R)-3-[[7-[(2S)-3-chloro-2-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
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62285061ChemSpider