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CHEBI:69957 - (1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene

ChEBI IDCHEBI:69957
ChEBI Name(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene
Stars
DefinitionA natural product found in Dilophus spiralis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILES[H][C@@]12[C@@H](OC(C)=O)C/C(C)=C/CC[C@@H](C)/C=C/[C@@]1(C)CC[C@H]2C(C)(C)O
InChIInChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1
InChIKeyQPIUBKNTZMBLLI-ASFQSAAXSA-N
Species of MetaboliteComponentSourceComments
Dilophus spiralis (ncbitaxon:499621) - PubMed (21190330) Methanol extract of freeze-dried alga
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (CHEBI:69957) has role metabolite (CHEBI:25212)
(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (CHEBI:69957) is a diterpenoid (CHEBI:23849)
Synonym  Source
[(1R,3aR,4E,6R,9E,12S,12aS)-1-(1-hydroxy-1-methyl-ethyl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetateChEBI
Manual XrefsDatabases
26393521ChemSpider
Citations