Name |
3-O-Galloylepigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate |
Formula |
C44H34O22 |
Mw |
914.15417278 |
CAS RN |
86588-89-8 |
C_ID |
C00009239
,
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InChIKey |
OBAZBWUNTJYECH-YNXVHFNNNA-N |
InChICode |
InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2/t31-,34+,39-,40+,42+/m0/s1 |
SMILES |
c1(c(cc(c2c1O[C@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O)[C@H]1c2c(cc(cc2O[C@@H]([C@@H]1OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
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Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Fabaceae | Stryphnodendron adstringens | Ref. |
Plantae | Myricaceae | Myrica esculenta | Ref. |
Plantae | Myricaceae | Myrica rubra | Ref. |
Plantae | Myrtaceae | Syzygium aqueum | Ref. |
Plantae | Myrtaceae | Syzygium samarangense | Ref. |
Plantae | Theaceae | Camellia sinensis | Ref. |
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