CHEBI:70134 - 5-epi-ilimaquinone

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ChEBI Name 5-epi-ilimaquinone
ChEBI ID CHEBI:70134
Definition A natural product found in Dactylospongia elegans.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.21441
InChI InChI=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
InChIKey JJWITJNSXCXULM-UPOGBMBOSA-N
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
Metabolite of Species Details
Dactylospongia elegans (NCBI:txid1162779) MeOH extract of freeze-dried sponge, isolated as 1:1 mixture of Ilimaquinone & 5-epi-ilimaquinone See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-dione ChEBI
Citation Waiting for Citations Type Source
21155589 PubMed citation Europe PMC
Last Modified
03 June 2016
General Comment
2014-10-17 Suggested Classification: ISA:p-quinone(CHEBI:25830); ISA:benzoquinones(CHEBI:22729); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:ether(CHEBI:25698);