| Name |
Swinholide B |
| Formula |
C77H130O20 |
| Mw |
1374.91554659 |
| CAS RN |
132943-68-1 |
| C_ID |
C00040420
, 
|
| InChIKey |
MZYYVUZATAWAPY-NJGQGJHPNA-N |
| InChICode |
InChI=1S/C77H130O20/c1-45-22-28-56(78)36-59-18-16-20-61(94-59)40-67(90-14)38-58(80)39-68(81)52(8)76(54(10)74(86)47(3)26-30-63-41-65(88-12)34-49(5)92-63)96-72(84)32-24-46(2)23-29-57(79)37-60-19-17-21-62(95-60)43-71(91-15)51(7)69(82)44-70(83)53(9)77(97-73(85)33-25-45)55(11)75(87)48(4)27-31-64-42-66(89-13)35-50(6)93-64/h16-17,20-25,32-33,47-71,74-83,86-87H,18-19,26-31,34-44H2,1-15H3/b32-24-,33-25-,45-22+,46-23+/t47-,48+,49+,50+,51-,52+,53-,54+,55+,56+,57+,58-,59-,60+,61+,62+,63+,64+,65-,66-,67+,68+,69+,70-,71+,74-,75+,76+,77+/m1/s1 |
| SMILES |
C1(=O)/C=C\C(=C\C[C@@H](C[C@@H]2O[C@H](C[C@H](C[C@H](C[C@@H]([C@@H]([C@H](OC(=O)/C=C\C(=C\C[C@@H](C[C@H]3O[C@H](C[C@@H]([C@@H]([C@H](C[C@H]([C@H]([C@H](O1)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]1C[C@@H](C[C@@H](O1)C)OC)C)O)O)C)OC)C=CC3)O)\C)[C@@H](C)[C@H](O)[C@H](C)CC[C@H]1C[C@@H](C[C@@H](O1)C)OC)C)O)O)OC)C=CC2)O)\C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
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