(2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
Molecular Formula:
C21H30O9
InChI: InChI=1/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1/f/h25H
InChIKey: InChIKey=CJMNXSKEVNPQOK-BVUMDVEWDG
SMILES: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
Names:
(2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
Registries:
PubChem CID 88127
PubChem ID 10222852
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