input word = C00036226

Metabolite InformationStructural formula
Name Tellimagrandin II
Formula C41H30O26
Mw 938.10253114
CAS RN 81571-72-4
C_ID C00036226 ,
InChIKey JCGHAEBIBSEQAD-UHFFFAOYNA-N
InChICode InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34-,35-,41+/m0/s1
SMILES [C@@H]12[C@H](COC(=O)c3c(c4c(C(=O)O1)cc(c(c4O)O)O)c(c(c(c3)O)O)O)O[C@@H]([C@H]([C@H]2OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceaeCamptotheca acuminata Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeMyrtaceaeEugenia caryophyllata Ref.
PlantaeRosaceaeFilipendula ulmaria Ref.
PlantaeRosaceaeGeum japonicum Ref.
PlantaeSaxifragaceaeTellima grandiflora Ref.
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OrganismCornus officinalis
Referencehttps://doi.org/10.1007/s10337-010-1825-1

https://doi.org/10.1248/cpb.32.4662

https://doi.org/10.1248/cpb.37.2083

https://doi.org/10.1248/cpb.37.2665