input word = C00037950

Metabolite InformationStructural formula
Name Trilobatin K
(-)-Trilobatin K
Formula C35H28O17
Mw 720.13264947
CAS RN 543725-42-4
C_ID C00037950 ,
InChIKey JXUUDAFDNVUHED-ISNGDQHZNA-N
InChICode InChI=1S/C35H28O17/c36-11-22(41)31-32-23(10-24(50-31)33(45)46)51-35(49)17-5-13-7-19(38)20(39)9-15(13)26(28(17)34(47)48)14-6-16(29(43)21(40)8-14)27-12(2-4-25(42)52-32)1-3-18(37)30(27)44/h1-10,22-23,26,28,31-32,36-41,43-44H,11H2,(H,45,46)(H,47,48)/b4-2+/t22-,23-,26-,28+,31-,32-/m1/s1
SMILES c12c([C@@H]3[C@H](C(=C1)C(=O)O[C@H]1[C@H]([C@H](OC(=C1)C(=O)O)[C@@H](CO)O)OC(=O)/C=C/c1c(c(c(cc1)O)O)c1c(c(cc3c1)O)O)C(=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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