CHEBI:209248 - 10-Hydroxy-18-methoxybetaenone

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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 10-Hydroxy-18-methoxybetaenone
ChEBI ID CHEBI:209248
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O6
Net Charge 0
Average Mass 396.524
Monoisotopic Mass 396.25119
InChI InChI=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
InChIKey ONZDNBGTAVEQQN-GSUHUVJFSA-N
SMILES O=C1[C@]2(O)[C@@H]([C@@](C(=O)/C=C/OC)(C)[C@H]([C@@]1(O)C)[C@H](CC)C)[C@@H](C[C@](C2)(O)C)C
Metabolite of Species Details
Microsphaeropsisspecies (NCBI:txid1874263) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
57642757 ChemSpider
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