| Name |
Papulacandin A |
| Formula |
C47H66O16 |
| Mw |
886.43508606 |
| CAS RN |
61036-46-2 |
| C_ID |
C00018128
, 
|
| InChIKey |
DPVWBQZOSHCQTG-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C47H66O16/c1-5-7-8-9-10-11-17-22-37(52)58-28-36-40(54)41(55)42(56)46(60-36)62-43-35(26-48)63-47(39-31(27-59-47)24-32(49)25-34(39)51)45(57)44(43)61-38(53)23-18-13-16-21-33(50)30(4)20-15-12-14-19-29(3)6-2/h10-13,15-18,20,22-25,29,33,35-36,40-46,48-51,54-57H,5-9,14,19,21,26-28H2,1-4H3/b11-10-,15-12+,16-13+,22-17+,23-18-,30-20+/t29-,33-,35?,36-,40-,41-,42+,43-,44+,45+,46-,47-/m0/s1 |
| SMILES |
[C@H]1(O[C@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]1[C@@H](O[C@]2([C@@H]([C@@H]1OC(=O)/C=C\C=C\C[C@@H](/C(=C/C=C/CC[C@@H](C)CC)/C)O)O)c1c(CO2)cc(cc1O)O)CO)COC(=O)/C=C/C=C\CCCCC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aizoaceae | Papularia sphaerosperma | Ref. |
|
|
zoom in
| Organism | Papularia sphaerosperma |
|---|
| Reference | Traxler,J. Antibiotics,30,(1977),289 |
|---|
|
