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CHEBI:224741 - Trichothecrotocin F

ChEBI IDCHEBI:224741
ChEBI NameTrichothecrotocin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O8
Net Charge0
Average Mass312.274
Monoisotopic Mass312.08452
SMILESCOC(=O)[C@@H]1O[C@@H](O)C(=O)[C@]2([C@H](O)C=C(C)C=CC=O)O[C@H]12
InChIInChI=1S/C14H16O8/c1-7(4-3-5-15)6-8(16)14-10(17)13(19)21-9(11(14)22-14)12(18)20-2/h3-6,8-9,11,13,16,19H,1-2H3/t8-,9-,11-,13-,14+/m1/s1
InChIKeyIEIVSCFXPHNHNK-KAPQCBECSA-N
Species of MetaboliteComponentSourceComments
Trichothecium crotocinigenum (ncbitaxon:261922) - PubMed (32870001)
ChEBI Ontology
Outgoing Relation(s)
Trichothecrotocin F (CHEBI:224741) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (1R,2R,4R,6R)-4-hydroxy-6-[(1R)-1-hydroxy-3-methyl-6-oxohexa-2,4-dienyl]-5-oxo-3,7-dioxabicyclo[4.1.0]heptane-2-carboxylate