| 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 |
CCCCCC=CC=CC(=O)OCC1OC(OC2C(CO)OC3(OCc4cc(O)cc(O)c43)C(O)C2OC(=O)C=CC=CCC(O)C(C)=CC=CCCC(C)CC)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aizoaceae | Papularia sphaerosperma | Ref. |
|
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