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CHEBI:182815 - 9-hydroxy-2,6,12-trimethyl-12-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-15-oxatetracyclo[8.4.1.01,10.02,7]pentadecane-6-carboxylic acid

ChEBI IDCHEBI:182815
ChEBI Name9-hydroxy-2,6,12-trimethyl-12-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-15-oxatetracyclo[8.4.1.01,10.02,7]pentadecane-6-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O10
Net Charge0
Average Mass514.612
Monoisotopic Mass514.27780
SMILESCC1(CCOC2OC(CO)C(O)C(O)C2O)CCC23OC2(C1)C(O)CC1C(C)(C(=O)O)CCCC13C
InChIInChI=1S/C26H42O10/c1-22(9-10-34-20-19(31)18(30)17(29)14(12-27)35-20)7-8-26-24(3)6-4-5-23(2,21(32)33)15(24)11-16(28)25(26,13-22)36-26/h14-20,27-31H,4-13H2,1-3H3,(H,32,33)
InChIKeyYKVWDRYOZQXKSV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
9-hydroxy-2,6,12-trimethyl-12-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-15-oxatetracyclo[8.4.1.01,10.02,7]pentadecane-6-carboxylic acid (CHEBI:182815) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
9-hydroxy-2,6,12-trimethyl-12-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-15-oxatetracyclo[8.4.1.01,10.02,7]pentadecane-6-carboxylic acid
Manual XrefsDatabases
23550666ChemSpider