input word = C00041998

Metabolite InformationStructural formula
Name (+)-Lariciresinol 9'-caffeinate
Formula C29H30O9
Mw 522.18898256
CAS RN 864452-90-4
C_ID C00041998 ,
InChIKey LVXBWQNYQALGLB-AKXKDFNRNA-N
InChICode InChI=1S/C29H30O9/c1-35-26-13-18(4-8-23(26)31)11-20-15-38-29(19-6-9-24(32)27(14-19)36-2)21(20)16-37-28(34)10-5-17-3-7-22(30)25(33)12-17/h3-10,12-14,20-21,29-33H,11,15-16H2,1-2H3/b10-5+/t20-,21-,29+/m1/s1
SMILES COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2COC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeLarix olgensis var. koreana Ref.
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