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CHEBI:169262 - Dendrobane A

ChEBI IDCHEBI:169262
ChEBI NameDendrobane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILES[H][C@]12C(O)C3C4C1C(C(C)CO)C[C@@H](O)[C@]2(C)[C@@]34C
InChIInChI=1S/C15H24O3/c1-6(5-16)7-4-8(17)14(2)11-9(7)10-12(13(11)18)15(10,14)3/h6-13,16-18H,4-5H2,1-3H3/t6?,7?,8-,9?,10?,11-,12?,13?,14+,15-/m1/s1
InChIKeyJSKHHRWONMXCPX-ZFHAQQOMSA-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)
Dendrobane A (CHEBI:169262) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,5S,6S,7S,8R,10R)-10-(1-hydroxypropan-2-yl)-3,7-dimethyltetracyclo[4.4.0.02,4.03,7]decane-5,8-diol
Manual XrefsDatabases
24846751ChemSpider