input word = C00009082

Metabolite InformationStructural formula
Name Catechin-(4alpha->8)-epigallocatechin
Formula C30H26O13
Mw 594.13734092
CAS RN 121958-00-7
C_ID C00009082 ,
InChIKey YJMNEZANCYQLJR-HSGOZVMONA-N
InChICode InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28-,29-/m1/s1
SMILES c12c([C@H]([C@@H]([C@H](O1)c1ccc(c(c1)O)O)O)c1c3c(C[C@H]([C@H](O3)c3cc(c(c(c3)O)O)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton lechleri Ref.
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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