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CHEBI:183630 - rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate

ChEBI IDCHEBI:183630
ChEBI Namerac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O9
Net Charge0
Average Mass520.619
Monoisotopic Mass520.26723
SMILESCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)CCC1(C)C
InChIInChI=1S/C28H40O9/c1-16(8-7-9-17(2)13-15-35-19(4)29)10-11-20-18(3)21(12-14-28(20,5)6)36-27-24(32)22(30)23(31)25(37-27)26(33)34/h7-11,13,21-25,27,30-32H,12,14-15H2,1-6H3,(H,33,34)/b9-7+,11-10+,16-8+,17-13+/t21-,22-,23+,24-,25-,27-/m1/s1
InChIKeyLFXATGINAILLFU-BSJULFBXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate (CHEBI:183630) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4R,5R,6R)-6-[(1R)-3-[(1E,3E,5E,7E)-9-acetyloxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060141HMDB
30778553ChemSpider