Name |
Epibreynin B |
Formula |
C40H56O24S |
Mw |
952.28822345 |
CAS RN |
142895-93-0 |
C_ID |
C00039114
,
|
InChIKey |
MSXJNVQBSSTHHY-UHFFFAOYNA-N |
InChICode |
InChI=1S/C40H56O24S/c1-13-11-56-39(8-18(13)58-34(52)15-3-5-16(43)6-4-15)38(53)40(54)22(44)7-17-21(12-65(55)32(17)33(40)64-39)61-37-31(27(49)24(46)19(9-41)60-37)63-36-29(51)30(25(47)20(10-42)59-36)62-35-28(50)26(48)23(45)14(2)57-35/h3-6,13-14,17-33,35-37,41-51,54H,7-12H2,1-2H3/t13-,14-,17+,18+,19-,20-,21+,22+,23-,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,35+,36-,37+,39+,40-,65-/m1/s1 |
SMILES |
[C@@H]12[C@@H](C[C@@H]([C@]3([C@@H]1O[C@]1(C3=O)C[C@@H]([C@@H](CO1)C)OC(=O)c1ccc(cc1)O)O)O)[C@H](C[S@]2=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C)O)O)O)O)O)O)CO |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Phyllanthaceae | Breynia fruticosa | Ref. |
|
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zoom in
Organism | Breynia fruticosa | Reference | Meng,J.Nat.Prod.,70,(2007),824 |
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