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CHEBI:224746 - Trichothecrotocin G

ChEBI IDCHEBI:224746
ChEBI NameTrichothecrotocin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O8
Net Charge0
Average Mass422.474
Monoisotopic Mass422.19407
SMILESCOC(=O)[C@@H]1O[C@@H](O)C(=O)[C@]2([C@H](O)C=C(C)C=CC=C(CO)CCC=C(C)C)O[C@H]12
InChIInChI=1S/C22H30O8/c1-13(2)7-5-9-15(12-23)10-6-8-14(3)11-16(24)22-18(25)21(27)29-17(19(22)30-22)20(26)28-4/h6-8,10-11,16-17,19,21,23-24,27H,5,9,12H2,1-4H3/t16-,17-,19-,21-,22+/m1/s1
InChIKeyFSNMXFQYGVETTI-KTLDEXFBSA-N
Species of MetaboliteComponentSourceComments
Trichothecium crotocinigenum (ncbitaxon:261922) - PubMed (32870001)
ChEBI Ontology
Outgoing Relation(s)
Trichothecrotocin G (CHEBI:224746) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (1R,2R,4R,6R)-4-hydroxy-6-[(1R)-1-hydroxy-7-(hydroxymethyl)-3,11-dimethyldodeca-2,4,6,10-tetraenyl]-5-oxo-3,7-dioxabicyclo[4.1.0]heptane-2-carboxylate