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CHEBI:70136 - Smenospongines B

ChEBI IDCHEBI:70136
ChEBI NameSmenospongines B
Stars
DefinitionA natural product found in Dactylospongia elegans.
Last Modified3 June 2016
DownloadsMolfile
FormulaC23H31NO5
Net Charge0
Average Mass401.503
Monoisotopic Mass401.22022
SMILES[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(=O)O)C1=O
InChIInChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h10,14,18,24,29H,1,5-9,11-12H2,2-4H3,(H,26,27)/t14-,18+,22+,23+/m0/s1
InChIKeyNNDNTSLKXNJKMJ-LAHPKLRZSA-N
Species of MetaboliteComponentSourceComments
Dactylospongia elegans (ncbitaxon:1162779) - PubMed (21155589) Methanolic extract of freeze-dried sponge material
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)
Smenospongines B (CHEBI:70136) has role metabolite (CHEBI:25212)
Smenospongines B (CHEBI:70136) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
Smenospongines B (CHEBI:70136) is a prenylquinone (CHEBI:26255)
Citations