input word = C00008916

Metabolite InformationStructural formula
Name Theasinensin B
Formula C37H30O18
Mw 762.14321416
CAS RN 89064-32-4
C_ID C00008916 ,
InChIKey CTVAVEOYQKVFFY-JXYMRCKINA-N
InChICode InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2/t24-,27+,35+,36+/m0/s1
SMILES O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
zoom in



OrganismCamellia sinensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Nonaka,Chem.Pharm.Bull.,31,(1983),3906

Hashimoto,Chem.Pharm.Bull.,36,(1988),1676