input word = C00049319

Metabolite InformationStructural formula
Name Trishizukaol A
(-)-Trishizukaol A
Formula C48H54O12
Mw 822.36152719
CAS RN 202258-40-0
C_ID C00049319 ,
InChIKey UTOSQPHVQVJVED-HAFVWTKONA-N
InChICode InChI=1S/C48H54O12/c1-17-21-13-26(21)46(5)33(17)18(2)31(37(50)40(46)53)25(43(56)59-8)12-22-24-15-27(24)45(4)29(22)16-30(36(49)39(45)52)48(44(57)60-9)11-10-20-23-14-28(23)47(6)34(20)35(48)32(38(51)41(47)54)19(3)42(55)58-7/h16,21,23-28,35,39-41,52-54H,10-15H2,1-9H3/b32-19-/t21-,23-,24-,25-,26-,27-,28-,35+,39+,40+,41+,45+,46+,47+,48+/m1/s1
SMILES COC(=O)/C(C)=C1C(=O)[C@H](O)[C@]2(C)C3=C(CC[C@](C(=O)OC)(C4=CC5=C(CC(C(=O)OC)C6=C(C)C7=C(C)[C@H]8C[C@H]8[C@]7(C)[C@@H](O)C6=O)[C@H]6C[C@H]6[C@]5(C)[C@@H](O)C4=O)[C@H]31)[C@H]1C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus japonicus Ref.
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