input word = C00037944

Metabolite InformationStructural formula
Name Trilobatin E
Formula C43H36O11
Mw 728.22576199
CAS RN 543724-08-9
C_ID C00037944 ,
InChIKey NZVOYXMWNIGTLX-HSRNIQDCNA-N
InChICode InChI=1S/C43H36O21/c44-21-3-1-13(5-23(21)46)30-17-9-25(48)36(53)32(15(17)7-19(40(56)57)34(30)41(58)59)33-16-8-20(43(62)64-39-28(11-29(51)52)63-12-27(50)38(39)55)35(42(60)61)31(18(16)10-26(49)37(33)54)14-2-4-22(45)24(47)6-14/h1-10,27-28,30-31,34-35,38-39,44-50,53-55H,11-12H2,(H,51,52)(H,56,57)(H,58,59)(H,60,61)/t27-,28-,30-,31-,34-,35-,38+,39+/m1/s1
SMILES c12c(C=C([C@H]([C@@H]1c1cc(c(cc1)O)O)C(=O)O)C(=O)O)c(c(c(c2)O)O)c1c2c([C@H]([C@@H](C(=C2)C(=O)O[C@H]2[C@H](OC[C@H]([C@@H]2O)O)CC(=O)O)C(=O)O)c2cc(c(cc2)O)O)cc(c1O)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