input word = C00009348

Metabolite InformationStructural formula
Name Theaflavin
Formula C29H24O12
Mw 564.12677623
CAS RN 4670-05-7
C_ID C00009348 ,
InChIKey IPMYMEWFZKHGAX-YLFZSFKTNA-N
InChICode InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)O)c1cc(c(=O)c2c(c1)c(cc(c2O)O)[C@@H]1[C@@H](Cc2c(O1)cc(cc2O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
PlantaeTheaceaeCamellia sinensis Ref.
zoom in