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CHEBI:218850 - Xylaranic acid

ChEBI IDCHEBI:218850
ChEBI NameXylaranic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESC[C@H]1C[C@H](O)CC2=C[C@@H](O)[C@@H](C(CO)C(=O)O)C[C@@]21C
InChIInChI=1S/C15H24O5/c1-8-3-10(17)4-9-5-13(18)11(6-15(8,9)2)12(7-16)14(19)20/h5,8,10-13,16-18H,3-4,6-7H2,1-2H3,(H,19,20)/t8-,10-,11+,12?,13+,15+/m0/s1
InChIKeyDPKPTGARWFZSLN-NYBSVRFASA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1002/hlca.200900296)
ChEBI Ontology
Outgoing Relation(s)
Xylaranic acid (CHEBI:218850) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2R,3S,6S,8S,8aR)-3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]-3-hydroxypropanoic acid
Manual XrefsDatabases
78441370ChemSpider