CHEBI:182812 - 5-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid

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ChEBI Name 5-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid
ChEBI ID CHEBI:182812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H42O11
Net Charge 0
Average Mass 494.578
Monoisotopic Mass 494.27271
InChI InChI=1S/C23H42O11/c1-5-12(3)16(7-14(25)9-19(27)28)32-20(29)10-15(26)8-17(13(4)6-2)33-23-22(31)21(30)18(11-24)34-23/h12-18,21-26,30-31H,5-11H2,1-4H3,(H,27,28)
InChIKey VQFBAKAPQDNJNU-UHFFFAOYSA-N
SMILES O(C(C(CC)C)CC(O)CC(OC(C(CC)C)CC(O)CC(O)=O)=O)C1OC(C(O)C1O)CO
ChEBI Ontology
Outgoing 5-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid (CHEBI:182812) is a glycoside (CHEBI:24400)
IUPAC Name
5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid
Manual Xref Database
29814548 ChemSpider
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