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CHEBI:224287 - 12-hydroxytauranin

ChEBI IDCHEBI:224287
ChEBI Name12-hydroxytauranin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESC=C1CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)C(CO)=CC1=O
InChIInChI=1S/C22H30O5/c1-13-5-6-18-21(2,12-24)7-4-8-22(18,3)16(13)10-15-17(25)9-14(11-23)19(26)20(15)27/h9,16,18,23-24,27H,1,4-8,10-12H2,2-3H3/t16-,18-,21+,22+/m0/s1
InChIKeyYHRTZMVVXZGKOK-FBRLZHCOSA-N
Species of MetaboliteComponentSourceComments
Phyllostictaspeciesnarum (ncbitaxon:143791) - PubMed (18247573)
ChEBI Ontology
Outgoing Relation(s)
12-hydroxytauranin (CHEBI:224287) is a prenylquinone (CHEBI:26255)
IUPAC Name 
2-[[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
78442737ChemSpider