input word = C00034735

Metabolite InformationStructural formula
Name Turrillioside B
Formula C45H54O23
Mw 962.30558804
CAS RN 943900-56-9
C_ID C00034735 ,
InChIKey KVZKMHXQBWVUCH-KCDNWFBSNA-N
InChICode InChI=1S/C45H54O23/c1-20-41(68-45-38(57)35(54)34(53)30(65-45)18-62-32(51)11-6-22-5-10-26(48)29(17-22)60-2)36(55)39(58)44(64-20)63-19-31-42(67-33(52)12-7-21-3-8-24(46)27(49)15-21)37(56)40(59)43(66-31)61-14-13-23-4-9-25(47)28(50)16-23/h3-12,15-17,20,30-31,34-50,53-59H,13-14,18-19H2,1-2H3/b11-6+,12-7+/t20-,30+,31+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43+,44+,45-/m0/s1
SMILES [C@H]1(O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)OC)O)O)O)O)C)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1cc(c(cc1)O)O)O)O)OCCc1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica turrilliana Ref.
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OrganismVeronica turrilliana
ReferenceKostadinova,Phytochem.,68,(2007),1321