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CHEBI:70135 - Nakijinol B

ChEBI IDCHEBI:70135
ChEBI NameNakijinol B
Stars
DefinitionA natural product found in Dactylospongia elegans.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H29NO3
Net Charge0
Average Mass355.478
Monoisotopic Mass355.21474
SMILES[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)c(O)cc2ncoc12
InChIInChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)11-15-19(25)17(24)10-16-20(15)26-12-23-16/h10,12,14,18,24-25H,1,5-9,11H2,2-4H3/t14-,18+,21+,22+/m0/s1
InChIKeyVRCMSDQYPBPHCD-YVUMSICPSA-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)
Nakijinol B (CHEBI:70135) has role metabolite (CHEBI:25212)
Nakijinol B (CHEBI:70135) is a benzoxazole (CHEBI:46700)
Synonym  Source
7-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-1,3-benzoxazole-5,6-diolChEBI
Citations