| Name |
Isokoreoside A |
| Formula |
C53H86O33S3 |
| Mw |
1346.42134747 |
| CAS RN |
583028-89-1 |
| C_ID |
C00044824
, 
|
| InChIKey |
YOKKWAMWHXWVML-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C53H86O33S3/c1-21(54)23-11-15-53(7)25-9-10-30-50(3,4)31(13-14-51(30,5)24(25)12-16-52(23,53)6)81-48-43(35(59)29(18-75-48)86-89(70,71)72)85-49-44(84-45-36(60)32(56)26(55)17-74-45)37(61)40(22(2)78-49)82-47-39(63)42(34(58)28(80-47)20-77-88(67,68)69)83-46-38(62)41(73-8)33(57)27(79-46)19-76-87(64,65)66/h12,22-23,25-49,55-63H,9-11,13-20H2,1-8H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)/t22-,23+,25-,26-,27-,28+,29-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-,47+,48-,49-,51+,52-,53+/m0/s1 |
| SMILES |
[C@H]1([C@H]([C@@H]([C@@H](O[C@H]1COS(=O)(=O)O)O[C@H]1[C@H](O)[C@H](O[C@@H]([C@H]1O)O[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1C)O[C@@H]1[C@@H](OC[C@@H]([C@H]1O)OS(=O)(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@H]1C2=CC[C@@]2([C@@]1(CC[C@@H]2C(=O)C)C)C)C)O[C@H]1[C@H](O)[C@H]([C@H](CO1)O)O)O)COS(=O)(=O)O)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Cucumariidae | Cucumaria conicospermium | Ref. |
|
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