| Name |
Malabathrin E |
| Formula |
C55H38O30 |
| Mw |
1178.14478988 |
| CAS RN |
147977-00-2 |
| C_ID |
C00035337
, 
|
| InChIKey |
FWLIWQBWHQWYFE-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C55H38O30/c56-18-2-1-12(3-20(18)58)44-26(64)6-14-19(57)10-27-32(45(14)81-44)34-47-48(84-53(77)17-9-25(63)39(68)42(71)31(17)33-35(54(78)83-47)55(34,85-27)49(73)43(33)72)46-28(80-50(74)13-4-21(59)36(65)22(60)5-13)11-79-51(75)15-7-23(61)37(66)40(69)29(15)30-16(52(76)82-46)8-24(62)38(67)41(30)70/h1-5,7-10,26,28,34-35,44,46-48,56-72H,6,11H2/t26-,28-,34-,35-,44+,46-,47+,48+,55-/m1/s1 |
| SMILES |
Oc1cc(cc(c1O)O)C(=O)O[C@H]1[C@@H](OC(=O)c2c(c3c(C(=O)OC1)cc(c(c3O)O)O)c(c(c(c2)O)O)O)[C@@H]1OC(=O)c2cc(c(c(c2C2=C(C(=O)[C@]34[C@H]2C(=O)O[C@H]1[C@H]3c1c(O4)cc(c2c1O[C@H]([C@@H](C2)O)c1cc(c(cc1)O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Melastoma malabathricum  | Ref. |
|
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