input word = C00031533

Metabolite InformationStructural formula
Name 2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Formula C22H30O8
Mw 422.19406794
CAS RN 95172-23-9
C_ID C00031533 ,
InChIKey XTRARZPRFYUCGZ-UHFFFAOYNA-N
InChICode InChI=1S/C22H30O8/c1-27-17-7-13(8-18(28-2)21(17)25)5-15(11-23)16(12-24)6-14-9-19(29-3)22(26)20(10-14)30-4/h7-10,15-16,23-26H,5-6,11-12H2,1-4H3/t15-,16-/m0/s1
SMILES c1(c(c(cc(c1)C[C@@H](CO)[C@H](CO)Cc1cc(c(c(c1)OC)O)OC)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSantalaceaeSantalum album L. Ref.
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OrganismSantalum album L.
ReferenceKim,Chem.Pharm.Bull.,53,(2005),641