| Name |
Eryngioside D
(+)-Eryngioside D |
| Formula |
C54H90O24 |
| Mw |
1122.58220381 |
| CAS RN |
1039557-66-8 |
| C_ID |
C00033826
, 
|
| InChIKey |
NDVRCNCSVOKYSV-BZWUXUMDNA-N |
| InChICode |
InChI=1S/C54H90O24/c1-49(2)14-23-22-8-9-29-51(5)12-11-32(50(3,4)28(51)10-13-52(29,6)53(22,7)16-31(60)54(23,30(59)15-49)21-71-45-41(69)37(65)33(61)24(17-55)72-45)76-47-43(39(67)35(63)26(19-57)74-47)78-48-44(40(68)36(64)27(20-58)75-48)77-46-42(70)38(66)34(62)25(18-56)73-46/h8,23-48,55-70H,9-21H2,1-7H3/t23-,24+,25+,26+,27+,28-,29+,30-,31+,32-,33+,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54+/m0/s1 |
| SMILES |
C1(C[C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO)C)C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Eryngium yuccifolium | Ref. |
|
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