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CHEBI:223838 - Arundinol B

ChEBI IDCHEBI:223838
ChEBI NameArundinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C2C[C@@H]([C@@](C)(O)CO)CC[C@]2(C)C=CC1=O
InChIInChI=1S/C15H22O3/c1-10-12-8-11(15(3,18)9-16)4-6-14(12,2)7-5-13(10)17/h5,7,11,16,18H,4,6,8-9H2,1-3H3/t11-,14+,15-/m0/s1
InChIKeyYUFPPXLSFYVMFY-GLQYFDAESA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis arundinis (ncbitaxon:413604) - PubMed (23294378)
ChEBI Ontology
Outgoing Relation(s)
Arundinol B (CHEBI:223838) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(4aR,7S)-7-[(2R)-1,2-dihydroxypropan-2-yl]-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
Manual XrefsDatabases
78437734ChemSpider