| Name |
[2R-[2alpha(2R*,3R*),3alpha]]-3,4,5-Trihydroxy-benzoic acid, 2-[1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-7-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester |
| Formula |
C36H28O16 |
| Mw |
716.13773485 |
| CAS RN |
126737-59-5 |
| C_ID |
C00059535
|
| InChIKey |
LYDDTLMHZWWJST-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C36H28O16/c37-13-5-20(39)18-10-25(44)34(50-26(18)7-13)17-9-24(43)32(47)29-15(17)1-2-16(30(45)33(29)48)35-28(11-19-21(40)6-14(38)8-27(19)51-35)52-36(49)12-3-22(41)31(46)23(42)4-12/h1-9,25,28,34-35,37-44,46-47H,10-11H2,(H,45,48) |
| SMILES |
O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2c(=O)c1O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia sinensis  | Ref. |
|
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