input word = C00040495

Metabolite InformationStructural formula
Name Tomentodiplacol
Formula C26H30O8
Mw 470.19406794
CAS RN 947746-57-8
C_ID C00040495 ,
InChIKey IMLYVWIWEAZRNK-JMRRQMJENA-N
InChICode InChI=1S/C26H30O8/c1-13(2)17(27)9-6-14(3)5-8-16-19(29)12-21-22(23(16)30)24(31)25(32)26(34-21)15-7-10-18(28)20(11-15)33-4/h5,7,10-12,17,25-30,32H,1,6,8-9H2,2-4H3/b14-5+/t17-,25-,26+/m0/s1
SMILES c1(c(c(c2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(c(c1)OC)O)O)C/C=C(/CC[C@@H](C(=C)C)O)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaulowniaceaePaulownia tomentosa Ref.
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