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CHEBI:224627 - methyl (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

ChEBI IDCHEBI:224627
ChEBI Namemethyl (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCOC(=O)C[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)CC[C@@H]21
InChIInChI=1S/C20H32O4/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-16(21)11-17(22)12-20(23)24-3/h5-6,10,13-14,16-19,21-22H,4,7-9,11-12H2,1-3H3/t13-,14+,16-,17-,18+,19+/m1/s1
InChIKeyIWVORPXIFPKHNZ-QLWJPQISSA-N
Species of MetaboliteComponentSourceComments
Monascus purpureus (ncbitaxon:5098) - PubMed (11087463)
ChEBI Ontology
Outgoing Relation(s)
methyl (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate (CHEBI:224627) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
methyl (3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
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78438291ChemSpider