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 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
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