| Name |
Nobotanin R |
| Formula |
C68H50O44 |
| Mw |
1570.16749498 |
| CAS RN |
694440-74-9 |
| C_ID |
C00035354
, 
|
| InChIKey |
BCCWHLKJYNXRJB-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-13-34-56(57-58(68(106-34)112-61(96)16-5-26(73)41(81)27(74)6-16)110-65(100)19-9-30(77)43(83)48(88)36(19)35-18(64(99)109-57)8-29(76)42(82)47(35)87)108-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-17(7-28(75)44(84)49(37)89)63(98)107-55-33(12-103-62(20)97)105-67(53(93)52(55)92)111-60(95)15-3-24(71)40(80)25(72)4-15/h1-11,33-34,52-53,55-58,67-93H,12-13H2/t33-,34-,52-,53-,55+,56-,57+,58+,67+,68-/m1/s1 |
| SMILES |
[C@@H]1([C@@H](O[C@H]2[C@@H]([C@@H]1O)OC(=O)c1c(c3c(C(=O)OC2)cc(c(c3O)O)Oc2c(c(c(cc2C(=O)O[C@@H]2[C@H](O[C@@H]([C@@H]3[C@H]2OC(=O)c2c(c4c(C(=O)O3)cc(c(c4O)O)O)c(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2cc(c(c(c2)O)O)O)O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Monochaetum multiflorum | Ref. |
|
|
zoom in
|
