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CHEBI:91841 - (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

Default Structure
ChEBI IDCHEBI:91841
ChEBI Name(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
Stars
DownloadsMolfile
FormulaC23H36O7
Net Charge0
Average Mass424.534
Monoisotopic Mass424.24610
SMILESCCC(C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](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)/t13?,14-,16+,17+,18+,19-,20-,22?/m0/s1
InChIKeyTUZYXOIXSAXUGO-XYLZAPOUSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid (CHEBI:91841) is a carbonyl compound (CHEBI:36586)
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