| Name |
Mallotinic acid |
| Formula |
C34H26O23 |
| Mw |
802.08648714 |
| CAS RN |
66369-82-2 |
| C_ID |
C00035172
, 
|
| InChIKey |
AJIFASHLGBHDDS-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27+,29-,34-/m0/s1 |
| SMILES |
c12c3c(C(=O)OC[C@H]4[C@@H]([C@H](OC(=O)c1cc(c(c2O)O)Oc1c(cc(c(c1O)O)O)C(=O)O)[C@H]([C@@H](O4)OC(=O)c1cc(c(c(c1)O)O)O)O)O)cc(c(c3O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cunoniaceae | Cunonia macrophylla | Ref. |
|
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