| Name |
25-Hydroxyfuscocineroside B |
| Formula |
C54H86O27S |
| Mw |
1198.50771828 |
| CAS RN |
1082071-34-8 |
| C_ID |
C00048589
, 
|
| InChIKey |
ZDSFYSUHSQKOMC-XTKBAISPNA-N |
| InChICode |
InChI=1S/C54H86O27S/c1-22-40(77-46-39(65)42(34(60)26(20-56)75-46)78-45-38(64)41(71-9)33(59)25(19-55)74-45)36(62)37(63)44(73-22)79-43-35(61)27(81-82(68,69)70)21-72-47(43)76-32-14-16-51(6)24-18-31(58)54-29(53(8,80-48(54)66)30(57)13-15-49(2,3)67)12-17-52(54,7)23(24)10-11-28(51)50(32,4)5/h18,22-23,25-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70)/t22-,23-,25-,26-,27-,28+,29-,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,51-,52+,53-,54+/m1/s1 |
| SMILES |
CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@]89C(=O)O[C@@](C)(C(=O)CCC(C)(C)O)[C@H]8CC[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OCC(OS(=O)(=O)O)[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Bohadschia marmorata | Ref. |
|
|
zoom in
|
