| Name |
Mycaloside I
(-)-Mycaloside I |
| Formula |
C52H86O22 |
| Mw |
1062.56107443 |
| CAS RN |
593280-58-1 |
| C_ID |
C00044948
, 
|
| InChIKey |
ABYXWVPLFNUJSN-AZAFIEHCNA-N |
| InChICode |
InChI=1S/C52H86O22/c1-22(2)24(12-15-53)7-6-23(3)29-17-30(57)35-27-9-8-25-16-26(10-13-51(25,4)28(27)11-14-52(29,35)5)68-50-43(66)46(45(34(20-56)71-50)73-49-41(64)39(62)37(60)33(19-55)70-49)74-47-42(65)44(31(58)21-67-47)72-48-40(63)38(61)36(59)32(18-54)69-48/h9,12,22-23,25-26,28-50,53-66H,6-8,10-11,13-21H2,1-5H3/b24-12+/t23-,25+,26+,28+,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47+,48+,49+,50-,51+,52-/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@H](C1)CC=C1[C@@H]2CC[C@]2([C@H]1[C@@H](C[C@@H]2[C@H](C)CC/C(=C\CO)/C(C)C)O)C)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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