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CHEBI:219663 - Toblerol A

ChEBI IDCHEBI:219663
ChEBI NameToblerol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCCC[C@@H](O)[C@@H]1O[C@H]1[C@@H]1O[C@@H]1C[C@@H]1C[C@H]1O
InChIInChI=1S/C12H20O4/c1-2-3-7(13)10-12(16-10)11-9(15-11)5-6-4-8(6)14/h6-14H,2-5H2,1H3/t6-,7+,8+,9+,10-,11+,12+/m0/s1
InChIKeyCPUHHIFVTIWVRS-LUSRZYESSA-N
Species of MetaboliteComponentSourceComments
Methylorubrum extorquens AM1 (ncbitaxon:272630) - PubMed (29112783)
ChEBI Ontology
Outgoing Relation(s)
Toblerol A (CHEBI:219663) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropan-1-ol
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78443349ChemSpider