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 C1(=O)C(=CC2=C([C@@H]3[C@H]([C@@]2([C@H]1O)C)C3)C[C@H](C1=C(C2=C([C@@H]3[C@H]([C@@]2([C@H](C1=O)O)C)C3)C)C)C(=O)OC)[C@]1(CCC2=C3[C@@H]1/C(=C(\C)/C(=O)OC)/C(=O)[C@@H]([C@]3([C@H]1[C@@H]2C1)C)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus japonicus Ref.
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