input word = C00037948

Metabolite InformationStructural formula
Name Trilobatin I
(-)-Trilobatin I
Formula C43H42O23
Mw 926.21168765
CAS RN 543724-90-9
C_ID C00037948 ,
InChIKey DAOFETOHYLHCHF-NBOBQYJRNA-N
InChICode InChI=1S/C43H42O23/c44-14-28(52)37-39(65-33(54)6-2-16-1-4-21(45)23(47)7-16)31(13-32(63-37)41(58)59)64-43(61)35-20(42(60)66-38-30(12-27(51)40(56)57)62-15-29(53)36(38)55)8-18-10-25(49)26(50)11-19(18)34(35)17-3-5-22(46)24(48)9-17/h1-11,13,27-31,34-39,44-53,55H,12,14-15H2,(H,56,57)(H,58,59)/b6-2+/t27-,28-,29+,30-,31-,34-,35-,36-,37-,38+,39-/m1/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]1[C@H](OC[C@@H]([C@H]1O)O)C[C@H](C(=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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OrganismBazzania trilobata
ReferenceScher,Phytochem.,62,(2003),769