| Name |
Tyrianthinic acid I |
| Formula |
C50H88O23 |
| Mw |
1056.57163912 |
| CAS RN |
1072159-00-2 |
| C_ID |
C00040598
, 
|
| InChIKey |
INEYXFPANCJADM-YWAKQQLSNA-N |
| InChICode |
InChI=1S/C50H88O23/c1-9-11-17-20-30(21-18-15-13-12-14-16-19-22-32(53)54)67-48-42(35(57)33(55)27(6)64-48)73-50-43(36(58)34(56)31(23-51)68-50)72-49-44(70-45(62)24(3)10-2)39(61)41(29(8)66-49)71-47-38(60)37(59)40(28(7)65-47)69-46(63)25(4)26(5)52/h24-31,33-44,47-52,55-61H,9-23H2,1-8H3,(H,53,54)/t24-,25-,26-,27+,28+,29-,30+,31+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| SMILES |
CCCCC[C@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](C)[C@@H](OC(=O)C(C)C(C)O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1OC(=O)C(C)CC |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea tyrianthina | Ref. |
|
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