| Name |
Mycaloside E
(-)-Mycaloside E |
| Formula |
C50H82O22 |
| Mw |
1034.52977431 |
| CAS RN |
593280-54-7 |
| C_ID |
C00044944
, 
|
| InChIKey |
UXQFHRDHIBZRLK-IBJBYGRTNA-N |
| InChICode |
InChI=1S/C50H82O22/c1-21(2)6-5-7-22(16-51)27-15-28(55)33-25-9-8-23-14-24(10-12-49(23,3)26(25)11-13-50(27,33)4)66-48-41(64)44(43(32(19-54)69-48)71-47-39(62)37(60)35(58)31(18-53)68-47)72-45-40(63)42(29(56)20-65-45)70-46-38(61)36(59)34(57)30(17-52)67-46/h5,7-8,21-22,24-48,51-64H,6,9-20H2,1-4H3/b7-5+/t22-,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-,49+,50-/m1/s1 |
| SMILES |
O1C[C@H]([C@H]([C@@H]([C@@H]1O[C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H](O[C@H]([C@@H]1O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3[C@H](C[C@@H]2[C@@H](CO)/C=C/CC(C)C)O)C)C1)C)CO)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Mycale laxissima | Ref. |
|
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