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CHEBI:217304 - Tricholumin A

ChEBI IDCHEBI:217304
ChEBI NameTricholumin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O6
Net Charge0
Average Mass476.654
Monoisotopic Mass476.31379
SMILESCC(C)[C@@H](C)[C@@H](O)[C@H]1CC[C@@H]([C@@]2(C)CCC(=O)[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@](O)(O4)C2=O)[C@@H]1C
InChIInChI=1S/C28H44O6/c1-16(2)17(3)23(31)20-7-8-21(18(20)4)25(5)11-10-22(30)26(6)12-9-19(29)15-27(26)13-14-28(33,34-27)24(25)32/h13-14,16-21,23,29,31,33H,7-12,15H2,1-6H3/t17-,18-,19+,20+,21-,23-,25-,26-,27-,28-/m1/s1
InChIKeyQSKJBXZZOXFMNA-CUVDBREMSA-N
Species of MetaboliteComponentSourceComments
Trichoderma asperellum (ncbitaxon:101201) - PubMed (30256119)
ChEBI Ontology
Outgoing Relation(s)
Tricholumin A (CHEBI:217304) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,3S,6S,10R,12R)-3,12-dihydroxy-10-[(1R,2S,3S)-3-[(1R,2R)-1-hydroxy-2,3-dimethylbutyl]-2-methylcyclopentyl]-6,10-dimethyl-15-oxatricyclo[10.2.1.01,6]pentadec-13-ene-7,11-dione
Manual XrefsDatabases
71048921ChemSpider