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CHEBI:224497 - 5alpha,9beta-dihydroxyisocuprebetaic acid

ChEBI IDCHEBI:224497
ChEBI Name5alpha,9beta-dihydroxyisocuprebetaic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESC=C1CC[C@]2(O)[C@](C)(CCC[C@]2(C)C(=O)O)[C@]1(O)CC/C(C)=C/CO
InChIInChI=1S/C20H32O5/c1-14(8-13-21)6-11-19(24)15(2)7-12-20(25)17(3,16(22)23)9-5-10-18(19,20)4/h8,21,24-25H,2,5-7,9-13H2,1,3-4H3,(H,22,23)/b14-8+/t17-,18-,19+,20-/m1/s1
InChIKeyMTGREHKFXJOFSS-ZWWBBUNMSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (32813522)
ChEBI Ontology
Outgoing Relation(s)
5alpha,9beta-dihydroxyisocuprebetaic acid (CHEBI:224497) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(1S,4aR,5S,8aS)-5,8a-dihydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,7,8-tetrahydro-2H-naphthalene-1-carboxylic acid
Manual XrefsDatabases
90609337ChemSpider