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CHEBI:198820 - Vertihemiptellide B

ChEBI IDCHEBI:198820
ChEBI NameVertihemiptellide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26N4O6S4
Net Charge0
Average Mass606.773
Monoisotopic Mass606.07352
SMILESCN1C(=O)[C@]2(CO)NC(=O)[C@@]1(Cc1ccccc1)SS[C@@]1(CO)NC(=O)[C@](Cc3ccccc3)(NC1=O)SS2
InChIInChI=1S/C25H26N4O6S4/c1-29-21(35)24(15-31)28-20(34)25(29,13-17-10-6-3-7-11-17)39-37-23(14-30)19(33)26-22(36-38-24,18(32)27-23)12-16-8-4-2-5-9-16/h2-11,30-31H,12-15H2,1H3,(H,26,33)(H,27,32)(H,28,34)/t22-,23-,24-,25-/m1/s1
InChIKeyZQJZMGLUHHLCJH-ZGFBMJKBSA-N
Species of MetaboliteComponentSourceComments
[Torrubiella hemipterigena (ncbitaxon:1531966) - PubMed (15901183)
ChEBI Ontology
Outgoing Relation(s)
Vertihemiptellide B (CHEBI:198820) has functional parent α-amino acid (CHEBI:33704)
Vertihemiptellide B (CHEBI:198820) is a organonitrogen compound (CHEBI:35352)
Vertihemiptellide B (CHEBI:198820) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4R,7R,10R)-4,10-dibenzyl-1,7-bis(hydroxymethyl)-5-methyl-2,3,8,9-tetrathia-5,11,13,15-tetrazatricyclo[8.2.2.24,7]hexadecane-6,12,14,16-tetrone
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4440538ChemSpider