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CHEBI:208175 - Antroquinonol U

ChEBI IDCHEBI:208175
ChEBI NameAntroquinonol U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O8
Net Charge0
Average Mass478.582
Monoisotopic Mass478.25667
SMILESCOC1=C(OC)[C@H](OC(C)=O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)C(=O)O)[C@@H](C)C1=O
InChIInChI=1S/C26H38O8/c1-15(9-8-10-16(2)13-20(28)14-17(3)26(30)31)11-12-21-18(4)22(29)24(32-6)25(33-7)23(21)34-19(5)27/h10-11,14,18,20-21,23,28H,8-9,12-13H2,1-7H3,(H,30,31)/t18-,20+,21-,23-/m1/s1
InChIKeyNWDZWEAPEOCWDK-ZVXPMLRVSA-N
Species of MetaboliteComponentSourceComments
Antrodia cinnamomea (ncbitaxon:279009) - PubMed (28898082)
ChEBI Ontology
Outgoing Relation(s)
Antroquinonol U (CHEBI:208175) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4S)-12-[(1R,2R,6R)-2-acetyloxy-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid
Manual XrefsDatabases
78441667ChemSpider