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InChIKey | NQYDFAGFKCSWGI-BDAKNGLRSA-M |
InChI | InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1/t8-,9+/m1/s1 |
SMILES | C[C@@H](O)CC[C@@H](CC([O-])=O)C(C)=C |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 6 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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chebi:64226 | (3S,6R)-6-hydroxy-3-isopropenylheptanoate (3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoate (3S,6R)-6-hydroxy-3-isopropenylheptanoate(1-) |
chebi:64249 | (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoic acid |
keggC:M_C11417 seedM:M_cpd08271 seedM:M_cpd22540 | secondary/obsolete/fantasy identifier |
metacycM:CPD-10065 seedM:cpd22540 | (3S,6R)-6-hydroxy-3-isopropenyl-heptanoate |
chebi:214 keggC:C11417 seedM:cpd08271 | (3S)-6-Hydroxy-3-isopropenyl-heptanoate 6-Hydroxy-3-isopropenylheptanoate |
MNXM162876 | is deprecated and replaced by this entry |
MNXM91335 | is deprecated and replaced by MNXM162876 |