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CHEBI:85160 - 3-hydroxylubimin

ChEBI IDCHEBI:85160
ChEBI Name3-hydroxylubimin
Stars
DefinitionA vetispirane sesquiterpenoid that is lubimin substituted by a hydroxy group at position 3.
Last Modified9 March 2015
Submitternamrata
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)[C@@H](O)[C@H](O)C[C@@H]2C=O
InChIInChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11-,12-,13-,14-,15+/m1/s1
InChIKeyYIGYYGXJIDAEOF-OJVARPOJSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
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)
3-hydroxylubimin (CHEBI:85160) has functional parent lubimin (CHEBI:27774)
3-hydroxylubimin (CHEBI:85160) has role plant metabolite (CHEBI:76924)
3-hydroxylubimin (CHEBI:85160) is a aldehyde (CHEBI:17478)
3-hydroxylubimin (CHEBI:85160) is a diol (CHEBI:23824)
3-hydroxylubimin (CHEBI:85160) is a vetispirane sesquiterpenoid (CHEBI:36755)
IUPAC Name 
(2R,5S,6S,8R,9R,10S)-8,9-dihydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde
Manual XrefsDatabases
CPD-4744MetaCyc
Registry NumbersSources
Reaxys:2332996Reaxys