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CHEBI:232473 - 2α-acetoxyisomotiol

Default Structure
ChEBI IDCHEBI:232473
ChEBI Name2α-acetoxyisomotiol
Stars
ASCII Name2alpha-acetoxyisomotiol
SubmitterAnne Morgat
DownloadsMolfile
FormulaC32H52O3
Net Charge0
Average Mass484.765
Monoisotopic Mass484.39165
SMILES[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)[C@]1([H])CC3
InChIInChI=1S/C32H52O3/c1-19(2)21-10-13-26-29(21,6)16-17-31(8)23-11-12-25-28(4,5)27(34)24(35-20(3)33)18-30(25,7)22(23)14-15-32(26,31)9/h19,21,24-27,34H,10-18H2,1-9H3/t21-,24-,25+,26-,27+,29-,30-,31-,32+/m1/s1
InChIKeyNDHOYPXYLNBEOP-DOPOZWGESA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
2α-acetoxyisomotiol (CHEBI:232473) has role fungal metabolite (CHEBI:76946)
2α-acetoxyisomotiol (CHEBI:232473) is a triterpenoid (CHEBI:36615)
Synonym  Source
2α-O-acetylisomotiolSUBMITTER
UniProt Name  Source
2α-acetoxyisomotiolUniProt
Citations