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CHEBI:199071 - (3R)-4alpha,4aalpha,8abeta-Trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1H-2-benzothiopyran-6(5H)-one

ChEBI IDCHEBI:199071
ChEBI Name(3R)-4alpha,4aalpha,8abeta-Trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1H-2-benzothiopyran-6(5H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5S
Net Charge0
Average Mass330.446
Monoisotopic Mass330.15009
SMILESCO[C@@H]1C(=O)CC[C@]2(O)CS[C@H](CC=C(C)C)[C@](C)(O)[C@@]12O
InChIInChI=1S/C16H26O5S/c1-10(2)5-6-12-14(3,18)16(20)13(21-4)11(17)7-8-15(16,19)9-22-12/h5,12-13,18-20H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1
InChIKeyMLVINQDIVHYGRR-OWYFMNJBSA-N
Species of MetaboliteComponentSourceComments
Sporothrixspecies (ncbitaxon:1902615) - PubMed (8784422)
ChEBI Ontology
Outgoing Relation(s)
(3R)-4alpha,4aalpha,8abeta-Trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1H-2-benzothiopyran-6(5H)-one (CHEBI:199071) is a organic heteromonocyclic ring (CHEBI:52849)
(3R)-4alpha,4aalpha,8abeta-Trihydroxy-5alpha-methoxy-4-methyl-3alpha-(3-methyl-2-butenyl)hexahydro-1H-2-benzothiopyran-6(5H)-one (CHEBI:199071) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
(3R,4R,4aR,5S,8aR)-4,4a,8a-trihydroxy-5-methoxy-4-methyl-3-(3-methylbut-2-enyl)-3,5,7,8-tetrahydro-1H-isothiochromen-6-one
Manual XrefsDatabases
8149513ChemSpider