input word = C00046474

Metabolite InformationStructural formula
Name Trichosanthoside B
(-)-Trichosanthoside B
Formula C39H52O23
Mw 888.28993797
CAS RN 244207-09-8
C_ID C00046474 ,
InChIKey MTHJRQPZSROKGZ-YCVNZYCYNA-N
InChICode InChI=1S/C39H52O23/c1-15-33(61-37-30(51)27(48)23(45)13-56-37)28(49)31(52)39(58-15)62-35-32(53)38(54-9-8-17-3-6-19(41)21(43)11-17)59-24(14-57-36-29(50)26(47)22(44)12-55-36)34(35)60-25(46)7-4-16-2-5-18(40)20(42)10-16/h2-7,10-11,15,22-24,26-45,47-53H,8-9,12-14H2,1H3/b7-4+/t15-,22-,23+,24+,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38+,39-/m0/s1
SMILES c1cc(c(cc1CCO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)OC(=O)/C=C/c1ccc(c(c1)O)O)CO[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
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