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CHEBI:168760 - (+)-Armillarin

ChEBI IDCHEBI:168760
ChEBI Name(+)-Armillarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@]12CC(C)(C)C[C@@]1([H])C=C(C=O)[C@]1(O)[C@H](O)C[C@]21C
InChIInChI=1S/C15H22O3/c1-13(2)5-9-4-10(8-16)15(18)12(17)7-14(15,3)11(9)6-13/h4,8-9,11-12,17-18H,5-7H2,1-3H3/t9-,11+,12-,14-,15+/m1/s1
InChIKeyMCWLAYGPZHYFKK-IUBWNAFWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(+)-Armillarin (CHEBI:168760) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,2aS,4aS,7aS,7bR)-2,2a-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carbaldehyde
Manual XrefsDatabases
24846725ChemSpider