| Name |
Melabathrin A |
| Formula |
C63H44O35 |
| Mw |
1360.16631318 |
| CAS RN |
147899-40-9 |
| C_ID |
C00009367
, 
|
| InChIKey |
MQLIUKFQMHHBOU-XZUVEIKVNA-N |
| InChICode |
InChI=1S/C63H44O35/c64-21-2-1-14(3-22(21)65)54-32(94-58(86)15-4-24(67)43(75)25(68)5-15)11-17-31(93-54)12-23(66)37(42(17)74)40-39-41-38(51(83)53(85)52(39)84)36-20(10-30(73)47(79)50(36)82)62(90)98-57(56(40)97-63(41)91)55-33(95-59(87)16-6-26(69)44(76)27(70)7-16)13-92-60(88)18-8-28(71)45(77)48(80)34(18)35-19(61(89)96-55)9-29(72)46(78)49(35)81/h1-10,12,32-33,40,54-57,64-85H,11,13H2/t32-,33-,40+,54+,55-,56+,57-/m1/s1 |
| SMILES |
c1([C@@H]2[C@H]3[C@@H]([C@H]4[C@H](OC(=O)c5cc(c(c(c5)O)O)O)COC(=O)c5c(c(c(c(c5)O)O)O)c5c(cc(c(c5O)O)O)C(=O)O4)OC(=O)c4cc(c(c(c4c4c(c(c(c2c4C(=O)O3)O)O)O)O)O)O)c(c2c(cc1O)O[C@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Melastoma malabathricum  | Ref. |
|
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