| Name |
Eryngioside I
(-)-Eryngioside I |
| Formula |
C52H82O21 |
| Mw |
1042.53485968 |
| CAS RN |
1039557-72-6 |
| C_ID |
C00033830
, 
|
| InChIKey |
RPOYPHARKVUWJM-NQVYOABKNA-N |
| InChICode |
InChI=1S/C52H82O21/c1-10-22(2)43(66)69-30-18-47(3,4)17-24-23-11-12-28-49(7)15-14-29(48(5,6)27(49)13-16-50(28,8)51(23,9)40(62)41(63)52(24,30)21-54)70-46-39(73-45-35(60)33(58)32(57)26(19-53)68-45)37(36(61)38(72-46)42(64)65)71-44-34(59)31(56)25(55)20-67-44/h10-11,24-41,44-46,53-63H,12-21H2,1-9H3,(H,64,65)/b22-10-/t24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39+,40-,41+,44-,45-,46-,49-,50+,51-,52+/m0/s1 |
| SMILES |
C1(C[C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1([C@H]([C@H]2O)O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)C(=O)O)C)C)CO)OC(=O)/C(=C\C)/C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Eryngium yuccifolium | Ref. |
|
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