| Name |
Mycaloside J |
| Formula |
C50H82O22 |
| Mw |
1034.52977431 |
| CAS RN |
1100360-19-7 |
| C_ID |
C00048781
, 
|
| InChIKey |
BSGWCPRBKALOIG-VHRZPZJANA-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)66-47-41(64)43(42(32(19-54)69-47)70-45-39(62)37(60)35(58)30(17-52)67-45)71-48-44(34(57)29(56)20-65-48)72-46-40(63)38(61)36(59)31(18-53)68-46/h8,21-22,24-27,29-48,51-54,56-64H,5-7,9-20H2,1-4H3/t22-,24-,25+,26-,27+,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 |
C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3=O)[C@@H](CCCC(C)C)CO)C)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@H]([C@@H]1O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)CO)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Mycale laxissima | Ref. |
|
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