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CHEBI:209248 - 10-Hydroxy-18-methoxybetaenone

ChEBI IDCHEBI:209248
ChEBI Name10-Hydroxy-18-methoxybetaenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCC[C@H](C)[C@@H]1[C@@](C)(C(=O)/C=C/OC)[C@H]2[C@H](C)C[C@@](C)(O)C[C@]2(O)C(=O)[C@@]1(C)O
InChIInChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13-,14+,16+,17+,19+,20+,21-,22+/m0/s1
InChIKeyONZDNBGTAVEQQN-GSUHUVJFSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsisspecies (ncbitaxon:1874263) - DOI (10.1021/np9905259)
ChEBI Ontology
Outgoing Relation(s)
10-Hydroxy-18-methoxybetaenone (CHEBI:209248) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(2S,3R,4R,4aR,5R,7R,8aR)-3-[(2S)-butan-2-yl]-2,7,8a-trihydroxy-4-[(E)-3-methoxyprop-2-enoyl]-2,4,5,7-tetramethyl-4a,5,6,8-tetrahydro-3H-naphthalen-1-one
Manual XrefsDatabases
57642757ChemSpider