| Name |
Eucalbanin B
Cornusiin A |
| Formula |
C68H50O44 |
| Mw |
1570.16749498 |
| CAS RN |
95263-69-7 |
| C_ID |
C00035272
, 
|
| InChIKey |
CGTQPVKZNROYFH-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H50O44/c69-12-37(107-61(96)16-1-24(71)43(83)25(72)2-16)59(111-62(97)17-3-26(73)44(84)27(74)4-17)57-35(82)15-105-65(100)22-11-36(50(90)54(94)42(22)41-21(67(102)109-57)9-32(79)48(88)53(41)93)106-56-23(10-33(80)49(89)55(56)95)68(103)108-38(13-70)60(112-63(98)18-5-28(75)45(85)29(76)6-18)58-34(81)14-104-64(99)19-7-30(77)46(86)51(91)39(19)40-20(66(101)110-58)8-31(78)47(87)52(40)92/h1-13,34-35,37-38,57-60,71-95H,14-15H2/t34-,35+,37-,38-,57+,58+,59+,60-/m1/s1 |
| SMILES |
c12c(C(=O)O[C@@H]([C@H](COC(=O)c3c1c(c(c(c3)Oc1c(c(c(cc1C(=O)O[C@H](C=O)[C@@H](OC(=O)c1cc(c(c(c1)O)O)O)[C@@H]1[C@@H](COC(=O)c3c(c4c(C(=O)O1)cc(c(c4O)O)O)c(c(c(c3)O)O)O)O)O)O)O)O)O)O)[C@@H](OC(=O)c1cc(c(c(c1)O)O)O)[C@@H](C=O)OC(=O)c1cc(c(c(c1)O)O)O)cc(c(c2O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cornaceae/Aucubaceae/Garryaceae/Helwingiaceae | Cornus officinalis  | Ref. |
| Plantae | Lythraceae | Punica granatum | Ref. |
| Plantae | Tamaricaceae | Reaumuria hirtella | Ref. |
|
|
zoom in
| Organism | Reaumuria hirtella |
|---|
| Reference | Okuda,Phytochem.,66,(2005),2012 |
|---|
|
