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CHEBI:223418 - (3S,4R,4aR,5R,6R,8aR)-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-2-oxo-1,3,5,6,7,8-hexahydroisothiochromene-4,4a,6,8a-tetrol

ChEBI IDCHEBI:223418
ChEBI Name(3S,4R,4aR,5R,6R,8aR)-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-2-oxo-1,3,5,6,7,8-hexahydroisothiochromene-4,4a,6,8a-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O6S
Net Charge0
Average Mass348.461
Monoisotopic Mass348.16066
SMILESCO[C@@H]1[C@H](O)CC[C@]2(O)CS(=O)[C@@H](CC=C(C)C)[C@](C)(O)[C@@]12O
InChIInChI=1S/C16H28O6S/c1-10(2)5-6-12-14(3,18)16(20)13(22-4)11(17)7-8-15(16,19)9-23(12)21/h5,11-13,17-20H,6-9H2,1-4H3/t11-,12+,13-,14+,15+,16+,23?/m1/s1
InChIKeyGAHDIKVGKILHLJ-FDZHBBNKSA-N
Species of MetaboliteComponentSourceComments
Pseudallescheria (ncbitaxon:5596) - PubMed (30978020)
ChEBI Ontology
Outgoing Relation(s)
(3S,4R,4aR,5R,6R,8aR)-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-2-oxo-1,3,5,6,7,8-hexahydroisothiochromene-4,4a,6,8a-tetrol (CHEBI:223418) is a organic heteromonocyclic ring (CHEBI:52849)
(3S,4R,4aR,5R,6R,8aR)-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-2-oxo-1,3,5,6,7,8-hexahydroisothiochromene-4,4a,6,8a-tetrol (CHEBI:223418) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
(3S,4R,4aR,5R,6R,8aR)-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-2-oxo-1,3,5,6,7,8-hexahydroisothiochromene-4,4a,6,8a-tetrol
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