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 Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1-c1c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c1O)[C@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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