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CHEBI:70076 - Stachyline B

ChEBI IDCHEBI:70076
ChEBI NameStachyline B
Stars
DefinitionA natural product found in Stachylidium species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESC=C(C)[C@H](O)COc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H16O4/c1-9(2)12(14)8-17-11-5-3-10(4-6-11)7-13(15)16/h3-6,12,14H,1,7-8H2,2H3,(H,15,16)/t12-/m1/s1
InChIKeyNTVKQXXUTNSBBQ-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Stachylidium (ncbitaxon:796327) - PubMed (21162532) Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
Stachyline B (CHEBI:70076) has role metabolite (CHEBI:25212)
Stachyline B (CHEBI:70076) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
2-[4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]phenyl]acetic acidChEBI
Citations