input word = C00037945

Metabolite InformationStructural formula
Name Trilobatin F
Formula C43H34O22
Mw 902.15417278
CAS RN 543724-11-4
C_ID C00037945 ,
InChIKey WBDDOBOPOLSOQE-ITIZVALBNA-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)65-37-29(12-31(50)51)62-13-30(36(37)52)64-42(60)21-6-16-9-25(47)27(49)11-19(16)33(35(21)40(57)58)17-2-4-28(38(53)54)63-41(17)59/h1-11,29-30,32-37,44-49,52H,12-13H2,(H,50,51)(H,53,54)(H,55,56)(H,57,58)/t29-,30-,32+,33-,34+,35-,36+,37+/m0/s1
SMILES c12c(C=C([C@H]([C@@H]1c1cc(c(cc1)O)O)C(=O)O)C(=O)O[C@@H]1[C@@H](OC[C@H](OC(=O)C3=Cc4c([C@@H]([C@H]3C(=O)O)c3ccc(oc3=O)C(=O)O)cc(c(c4)O)O)[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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