input word = C00009354

Metabolite InformationStructural formula
Name Oolongtheanin
Formula C36H28O17
Mw 732.13264947
CAS RN 116310-05-5
C_ID C00009354 ,
InChIKey BEHKEBMWHIDHDT-UEOBADPCNA-N
InChICode InChI=1S/C36H28O17/c37-12-3-18(39)14-7-23(44)32(50-24(14)5-12)17-10-27(45)36(49)29(17)28-16(8-22(43)31(47)34(28)53-36)33-26(9-15-19(40)4-13(38)6-25(15)51-33)52-35(48)11-1-20(41)30(46)21(42)2-11/h1-6,8,10,23,26,29,32-33,37-44,46-47,49H,7,9H2/t23-,26-,29-,32-,33-,36-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c2c1[C@@H]1[C@](O2)(C(=O)C=C1[C@@H]1[C@@H](Cc2c(O1)cc(cc2O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
zoom in



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

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