| Name |
Melabathrin E |
| Formula |
C55H38O30 |
| Mw |
1178.14478988 |
| CAS RN |
147977-00-3 |
| C_ID |
C00009368
, 
|
| InChIKey |
FWLIWQBWHQWYFE-SPXJMFLCNA-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 |
[C@H]1([C@H]2[C@H]3[C@@H]4[C@]5([C@@H](C(=C(C5=O)O)c5c(C(=O)O2)cc(c(c5O)O)O)C(=O)O3)Oc2c4c3c(c(c2)O)C[C@H]([C@H](O3)c2cc(c(cc2)O)O)O)[C@@H](OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2c(c(c(c(c2)O)O)O)c2c(cc(c(c2O)O)O)C(=O)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Melastoma malabathricum  | Ref. |
|
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