input word = C00055322

Metabolite InformationStructural formula
Name 1,2-Bis(4-methoxyphenyl)-1,3-butanediol
Formula C18H22O4
Mw 302.15180919
CAS RN 212516-37-5
C_ID C00055322
InChIKey KKTBJMXEKPXZHK-FMOQSIQZSA-N
InChICode InChI=1S/C18H22O4/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-12,17-20H,1-3H3/t12-,17+,18?/m0/s1
SMILES COC1=CC=C([C@H](C(O)C2=CC=C(OC)C=C2)[C@@H](O)C)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium verum Ref.
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