CHEBI:208175 - Antroquinonol U

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antroquinonol U
ChEBI ID CHEBI:208175
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38O8
Net Charge 0
Average Mass 478.582
Monoisotopic Mass 478.25667
InChI InChI=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
InChIKey NWDZWEAPEOCWDK-ZVXPMLRVSA-N
SMILES O=C1C(OC)=C(OC)[C@H](OC(=O)C)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(C(=O)O)C)C)C
Metabolite of Species Details
Antrodia cinnamomea (NCBI:txid279009) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78441667 ChemSpider
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