| Name |
Hemoiedemoside B |
| Formula |
C54H84O31S3 |
| Mw |
1324.41586816 |
| CAS RN |
443791-83-1 |
| C_ID |
C00046003
, 
|
| InChIKey |
KDIPYEWDEHGPNR-HWSQQHDYNA-N |
| InChICode |
InChI=1S/C54H84O31S3/c1-23(2)11-10-16-53(8)44-27(55)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(63)84-53)80-48-43(35(58)30(20-74-48)85-88(70,71)72)83-45-37(60)36(59)40(24(3)77-45)81-47-39(62)42(34(57)29(79-47)22-76-87(67,68)69)82-46-38(61)41(73-9)33(56)28(78-46)21-75-86(64,65)66/h14,24,26,28-48,56-62H,1,10-13,15-22H2,2-9H3,(H,64,65,66)(H,67,68,69)(H,70,71,72)/t24-,26-,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-/m1/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](O)[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@@]23[C@]1(CC(=O)[C@@H]2[C@](OC3=O)(C)CCCC(=C)C)C)C)O)COS(=O)(=O)O)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Hemoiedema spectabilis | Ref. |
|
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