CHEBI:85160 - 3-hydroxylubimin

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ChEBI Name 3-hydroxylubimin
ChEBI ID CHEBI:85160
Definition A vetispirane sesquiterpenoid that is lubimin substituted by a hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H24O3
Net Charge 0
Average Mass 252.34930
Monoisotopic Mass 252.17254
InChI InChI=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
InChIKey YIGYYGXJIDAEOF-OJVARPOJSA-N
SMILES C[C@@H]1[C@@H](O)[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Xref Database
CPD-4744 MetaCyc
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Registry Number Type Source
2332996 Reaxys Registry Number Reaxys
Last Modified
09 March 2015