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CHEBI:213252 - Arundinol A

ChEBI IDCHEBI:213252
ChEBI NameArundinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC1=C2C[C@@H]([C@@](C)(O)CO)CC[C@]2(C)[C@@H](O)CC1
InChIInChI=1S/C15H26O3/c1-10-4-5-13(17)14(2)7-6-11(8-12(10)14)15(3,18)9-16/h11,13,16-18H,4-9H2,1-3H3/t11-,13-,14-,15-/m0/s1
InChIKeyXPNTZHDXQQJTAF-MXAVVETBSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis arundinis (ncbitaxon:413604) - PubMed (23294378)
ChEBI Ontology
Outgoing Relation(s)
Arundinol A (CHEBI:213252) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(2R)-2-[(2S,4aS,5S)-5-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol
Manual XrefsDatabases
28536076ChemSpider