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CHEBI:132902 - 1β,4β,7α-trihydroxyeudesmane

ChEBI IDCHEBI:132902
ChEBI Name1β,4β,7α-trihydroxyeudesmane
Stars
ASCII Name1beta,4beta,7alpha-trihydroxyeudesmane
DefinitionA eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 7.
Last Modified31 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC15H28O3
Net Charge0
Average Mass256.386
Monoisotopic Mass256.20384
SMILES[H][C@@]12C[C@](O)(C(C)C)CC[C@@]1(C)[C@H](O)CC[C@]2(C)O
InChIInChI=1S/C15H28O3/c1-10(2)15(18)8-7-13(3)11(9-15)14(4,17)6-5-12(13)16/h10-12,16-18H,5-9H2,1-4H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyHZQODNRPUJAVLV-ZSAUSMIDSA-N
Species of MetaboliteComponentSourceComments
Cordia trichotoma (ncbitaxon:181186) heartwood (PO:0004512) PubMed (15018045)
Homalomena occulta (ncbitaxon:714477) aerial part (BTO:0001658) PubMed (17511005)
Acorus calamus (ncbitaxon:4465) - PubMed (23373216)
Teucrium ramosissimum (IPNI:460664-1) aerial part (BTO:0001658) PubMed (19766274)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1β,4β,7α-trihydroxyeudesmane (CHEBI:132902) has role plant metabolite (CHEBI:76924)
1β,4β,7α-trihydroxyeudesmane (CHEBI:132902) is a eudesmane sesquiterpenoid (CHEBI:62508)
1β,4β,7α-trihydroxyeudesmane (CHEBI:132902) is a triol (CHEBI:27136)
IUPAC Name 
(1R,4S,4aR,6S,8aR)-4,8a-dimethyl-6-(propan-2-yl)decahydronaphthalene-1,4,6-triol
Synonyms  Source
1,4,7-eudesmanetriolSUBMITTER
(-)-1beta,4beta,7alpha-TrihydroxyeudesmaneKNApSAcK
1β,4β,7α-eudesmanetriolChEBI
eudesmane-1,4,7-triolChEBI
eudesmane-1β,4β,7α-triolChEBI
Manual XrefsDatabases
C00033538KNApSAcK
Registry NumbersSources
Reaxys:5808101Reaxys
CAS:145400-02-8KNApSAcK
Citations