CHEBI:210079 - (2'R)-stachyline B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2'R)-stachyline B
ChEBI ID CHEBI:210079
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O4
Net Charge 0
Average Mass 236.267
Monoisotopic Mass 236.10486
InChI InChI=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-/m0/s1
InChIKey NTVKQXXUTNSBBQ-LBPRGKRZSA-N
SMILES O=C(O)CC1=CC=C(OC[C@H](O)C(=C)C)C=C1
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing (2'R)-stachyline B (CHEBI:210079) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]phenyl]acetic acid
Manual Xref Database
83986149 ChemSpider
View more database links