input word = C00008915

Metabolite InformationStructural formula
Name Desgalloyl theasinensin F
Formula C30H26O13
Mw 594.13734092
CAS RN 116403-63-5
C_ID C00008915 ,
InChIKey KHLNJXULHHYAOM-CINWCZSUNA-N
InChICode InChI=1S/C30H26O13/c31-10-1-17(33)14-7-22(38)29(42-24(14)3-10)13-6-20(36)19(35)5-12(13)26-16(9-21(37)27(40)28(26)41)30-23(39)8-15-18(34)2-11(32)4-25(15)43-30/h1-6,9,22-23,29-41H,7-8H2/t22-,23+,29-,30-/m1/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)cc1-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. assamica Ref.
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