input word = C00008917

Metabolite InformationStructural formula
Name Theasinensin C
Formula C30H26O14
Mw 610.13225554
CAS RN 89013-69-4
C_ID C00008917 ,
InChIKey JPBGHWKYWUEIOT-PFHRPZCCNA-N
InChICode InChI=1S/C30H26O14/c31-9-1-15(33)11-5-19(37)29(43-21(11)3-9)13-7-17(35)25(39)27(41)23(13)24-14(8-18(36)26(40)28(24)42)30-20(38)6-12-16(34)2-10(32)4-22(12)44-30/h1-4,7-8,19-20,29-42H,5-6H2/t19-,20-,29-,30+/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)[C@@H]1Oc2c(C[C@H]1O)c(cc(c2)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