input word = C00040828

Metabolite InformationStructural formula
Name 4,9'-Dihydroxy-3',4',5-trimethoxy-7',9-epoxylignan
Formula C21H26O6
Mw 374.17293856
CAS RN 73354-13-9
C_ID C00040828 ,
InChIKey VVKJZDWKHOGKOG-JGEZWHEGNA-N
InChICode InChI=1S/C21H26O6/c1-24-18-7-5-14(10-20(18)26-3)21-16(11-22)15(12-27-21)8-13-4-6-17(23)19(9-13)25-2/h4-7,9-10,15-16,21-23H,8,11-12H2,1-3H3/t15-,16-,21+/m0/s1
SMILES C1[C@@H]([C@@H]([C@H](O1)c1ccc(c(c1)OC)OC)CO)Cc1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne oleoides Ref.
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OrganismDaphne oleoides
ReferenceUllah,Phytochem.,50,(1999),147