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 c12c(C=C([C@H]([C@@H]1c1cc(c(cc1)O)O)C(=O)O[C@@H]1C=C(O[C@@H]([C@@H]1OC(=O)/C=C/c1cc(c(cc1)O)O)[C@H](CO)O)C(=O)O)C(=O)O[C@H]([C@H]([C@@H](CO)O)O)[C@H](CC(=O)O)O)cc(c(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLepidoziaceaeBazzania trilobata Ref.
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