| Name |
Cinnamtannin B1 3-gallate |
| Formula |
C52H40O22 |
| Mw |
1016.20112297 |
| CAS RN |
1245386-51-9 |
| C_ID |
C00055051
|
| InChIKey |
PTILAZABZDCMMW-MNHHKMPBSA-N |
| InChICode |
InChI=1S/C52H40O22/c53-21-12-30(61)38-36(13-21)73-52(20-3-6-25(56)29(60)11-20)50(72-51(69)19-9-33(64)44(67)34(65)10-19)43(38)41-37(74-52)16-32(63)40-42(45(68)47(71-49(40)41)18-2-5-24(55)28(59)8-18)39-31(62)15-26(57)22-14-35(66)46(70-48(22)39)17-1-4-23(54)27(58)7-17/h1-13,15-16,35,42-43,45-47,50,53-68H,14H2/t35-,42+,43-,45-,46-,47-,50-,52+/m1/s1 |
| SMILES |
OC1=C2C(O[C@]3(C4=CC=C(O)C(O)=C4)[C@H](OC(C5=CC(O)=C(O)C(O)=C5)=O)[C@H]2C(C(O[C@@](C6=CC=C(O)C(O)=C6)([H])[C@H](O)[C@@]7([H])C8=C(O[C@]([H])(C9=CC=C(O)C(O)=C9)[C@H](O)C%10)C%10=C(O)C=C8O)=C7C(O)=C%11)=C%11O3)=CC(O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygonaceae | Rumex acetosa  | Ref. |
|
|
zoom in
| Organism | Rumex acetosa |
|---|
| Reference | Nonaka, G. et al., JCS Perkin 1, 1983, 2139-2145 (Cinnamomum zeylanicum constits) |
|---|
|
