| Name |
Mycaloside B
(-)-Mycaloside B |
| Formula |
C50H82O23 |
| Mw |
1050.52468893 |
| CAS RN |
593280-51-4 |
| C_ID |
C00044941
, 
|
| InChIKey |
MLKKVMMBYLGWBK-AXGNLJIONA-N |
| InChICode |
InChI=1S/C50H82O23/c1-5-20(2)6-7-21(15-51)25-14-26(55)32-22-8-9-24-33(57)28(11-13-49(24,3)23(22)10-12-50(25,32)4)67-48-41(65)44(43(31(18-54)70-48)72-47-39(63)37(61)35(59)30(17-53)69-47)73-45-40(64)42(27(56)19-66-45)71-46-38(62)36(60)34(58)29(16-52)68-46/h6-7,9,20-23,25-48,51-65H,5,8,10-19H2,1-4H3/b7-6+/t20-,21+,22+,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+,50+/m0/s1 |
| SMILES |
CCC(C)/C=C/[C@@H](CO)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6OC[C@@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H]6O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Mycale laxissima | Ref. |
|
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