| Name |
Fuscocineroside A |
| Formula |
C56H88O28S |
| Mw |
1240.51828296 |
| CAS RN |
915213-95-5 |
| C_ID |
C00041533
, 
|
| InChIKey |
WQQZIDSXNIKKBE-XXPULLIBNA-N |
| InChICode |
InChI=1S/C56H88O28S/c1-23-42(79-48-41(68)44(36(63)28(21-58)77-48)80-47-40(67)43(73-10)35(62)27(20-57)76-47)38(65)39(66)46(75-23)81-45-37(64)29(84-85(70,71)72)22-74-49(45)78-34-15-17-53(7)26-19-33(61)56-31(13-18-54(56,8)25(26)11-12-30(53)52(34,5)6)55(9,83-50(56)69)32(60)14-16-51(3,4)82-24(2)59/h19,23,25,27-31,33-49,57-58,61-68H,11-18,20-22H2,1-10H3,(H,70,71,72)/t23-,25-,27-,28-,29-,30+,31-,33+,34+,35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,53-,54+,55-,56+/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@H](CC3)[C@@](OC4=O)(C(=O)CCC(OC(=O)C)(C)C)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)CO)O)CO)O)O)O)OS(=O)(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Holothuria fuscocinerea | Ref. |
|
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