input word = C00037947

Metabolite InformationStructural formula
Name Trilobatin H
(-)-Trilobatin H
Formula C42H42O23
Mw 914.21168765
CAS RN 543724-15-8
C_ID C00037947 ,
InChIKey MKLCPDMXKJGRLV-STZGFVGKNA-N
InChICode InChI=1S/C42H42O23/c43-14-28(52)36(57)37(27(51)12-32(54)55)65-41(60)20-8-18-10-25(49)26(50)11-19(18)34(17-3-5-22(46)24(48)9-17)35(20)42(61)63-30-13-31(40(58)59)62-38(29(53)15-44)39(30)64-33(56)6-2-16-1-4-21(45)23(47)7-16/h1-11,13,27-30,34-39,43-53,57H,12,14-15H2,(H,54,55)(H,58,59)/b6-2+/t27-,28+,29-,30+,34+,35+,36-,37-,38+,39+/m0/s1
SMILES O=C(O)CC(O)C(OC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)C1C(=O)O[C@@H]1C=C(C(=O)O)O[C@H](C(O)CO)[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)C(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLepidoziaceaeBazzania trilobata Ref.
zoom in