input word = C00055676

Metabolite InformationStructural formula
Name 3'-O-methylcatechin
Formula C16H16O6
Mw 304.09468824
CAS RN 60383-97-3
C_ID C00055676
InChIKey NJHJXXLBWQXMRO-XJKSGUPXSA-N
InChICode InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1
SMILES COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaePinaceaePicea abies Ref.
PlantaePinaceaePinus sylvestris Ref.
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OrganismPinus sylvestris
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1120D (ir)