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CHEBI:70134 - 5-epi-ilimaquinone

ChEBI IDCHEBI:70134
ChEBI Name5-epi-ilimaquinone
Stars
DefinitionA natural product found in Dactylospongia elegans.
Last Modified3 June 2016
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILES[H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(OC)C1=O
InChIInChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21-,22+/m0/s1
InChIKeyJJWITJNSXCXULM-UPOGBMBOSA-N
Species of MetaboliteComponentSourceComments
Dactylospongia elegans (ncbitaxon:1162779) - PubMed (21155589) MeOH extract of freeze-dried sponge, isolated as 1:1 mixture of Ilimaquinone & 5-epi-ilimaquinone
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)
5-epi-ilimaquinone (CHEBI:70134) has role metabolite (CHEBI:25212)
5-epi-ilimaquinone (CHEBI:70134) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
5-epi-ilimaquinone (CHEBI:70134) is a prenylquinone (CHEBI:26255)
Synonym  Source
3-[[(1R,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dioneChEBI
Citations