CHEBI:221154 - 12-methoxy sordariol

ChEBI IDCHEBI:221154
ChEBI Name12-methoxy sordariol
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FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCOCc1c(O)cccc1/C=C/[C@H](O)[C@@H](C)O
InChIInChI=1S/C13H18O4/c1-9(14)12(15)7-6-10-4-3-5-13(16)11(10)8-17-2/h3-7,9,12,14-16H,8H2,1-2H3/b7-6+/t9-,12+/m1/s1
InChIKeyOACLBOXVALMZFJ-VACNFSINSA-N
Species of MetaboliteComponentSourceComments
Sordaria macrospora (ncbitaxon:5147) - DOI (10.1016/j.tetlet.2016.05.014)
ChEBI Ontology
Outgoing Relation(s)
12-methoxy sordariol (CHEBI:221154) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(E,2R,3S)-5-[3-hydroxy-2-(methoxymethyl)phenyl]pent-4-ene-2,3-diol
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78437675ChemSpider