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CHEBI:94322 - 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

Default Structure
ChEBI IDCHEBI:94322
ChEBI Name3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
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DownloadsMolfile
FormulaC23H36O7
Net Charge0
Average Mass424.534
Monoisotopic Mass424.24610
SMILESCCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21
InChIInChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)
InChIKeyTUZYXOIXSAXUGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid (CHEBI:94322) is a carbonyl compound (CHEBI:36586)
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