CHEBI:208128 - Antroquinonol O

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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 O
ChEBI ID CHEBI:208128
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H36O5
Net Charge 0
Average Mass 392.536
Monoisotopic Mass 392.25627
InChI InChI=1S/C23H36O5/c1-15(7-6-8-16(2)11-19(25)12-17(3)14-24)9-10-20-18(4)23(27)22(28-5)13-21(20)26/h8-9,12-13,18-21,24-26H,6-7,10-11,14H2,1-5H3/t18-,19+,20-,21+/m1/s1
InChIKey BISKIPFYEROROF-MHTWAQMVSA-N
SMILES O=C1C(OC)=C[C@H](O)[C@@H]([C@H]1C)CC=C(CCC=C(C[C@H](O)C=C(CO)C)C)C
Metabolite of Species Details
Antrodia cinnamomea (NCBI:txid279009) See: PubMed
ChEBI Ontology
Outgoing Antroquinonol O (CHEBI:208128) is a diterpenoid (CHEBI:23849)
IUPAC Name
(4R,5R,6R)-5-[(9S)-9,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-hydroxy-2-methoxy-6-methylcyclohex-2-en-1-one
Manual Xref Database
78441659 ChemSpider
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