| Name |
Papulacandin B |
| Formula |
C47H64O17 |
| Mw |
900.41435062 |
| CAS RN |
61032-80-2 |
| C_ID |
C00016076
, 
|
| InChIKey |
UJLFRJFJTPPIOK-TXNQZTFINA-N |
| InChICode |
InChI=1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7+,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28-,31+,33-,35+,36+,40+,41-,42-,43-,44+,45+,46-,47-/m0/s1 |
| SMILES |
O=C(/C=C/C=C/C[C@@H](/C(=C/C=C/CC[C@H](CC)C)/C)O)O[C@H]1[C@H]([C@@]2(O[C@@H]([C@@H]1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/C=C/C=C/[C@H](O)CC)O)O)O)CO)c1c(CO2)cc(cc1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aizoaceae | Papularia sphaerosperma | Ref. |
|
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