input word = C00002928

Metabolite InformationStructural formula
Name Isoterchebin
Formula C41H30O27
Mw 954.09744576
CAS RN 58690-20-3
C_ID C00002928 ,
InChIKey QFJVFTCFAZSXCY-LYQLMMILNA-N
InChICode InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25+,30-,32+,33-,39+,41?/m1/s1
SMILES [C@H]12[C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C1=CC(=O)[C@@]3(C([C@@H]1c1c(c(c(cc1C(=O)O2)O)O)O3)(O)O)O)OC(=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
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeLythraceaeTrapa japonica Ref.
PlantaeRafflesiaceaeCytinus hypocistis Ref.
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OrganismTrapa japonica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter45