input word = C00037946

Metabolite InformationStructural formula
Name Trilobatin G
(-)-Trilobatin G
Formula C43H34O22
Mw 902.15417278
CAS RN 543724-13-6
C_ID C00037946 ,
InChIKey VMWRMZUOUIDYCS-GNIMUQOUNA-N
InChICode InChI=1S/C43H34O22/c44-22-3-1-14(7-23(22)45)32-18-10-26(48)24(46)8-15(18)5-20(34(32)39(55)56)43(61)65-37-30(12-31(51)52)62-13-28(50)36(37)64-42(60)21-6-16-9-25(47)27(49)11-19(16)33(35(21)40(57)58)17-2-4-29(38(53)54)63-41(17)59/h1-11,28,30,32-37,44-50H,12-13H2,(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t28-,30+,32+,33-,34+,35-,36+,37-/m0/s1
SMILES c12c(C=C([C@@H]([C@H]1c1ccc(oc1=O)C(=O)O)C(=O)O)C(=O)O[C@H]1[C@@H](OC(=O)C3=Cc4c([C@H]([C@@H]3C(=O)O)c3ccc(c(c3)O)O)cc(c(c4)O)O)[C@H](OC[C@@H]1O)CC(=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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