| Name |
Breynin B |
| Formula |
C40H56O24S |
| Mw |
952.28822345 |
| CAS RN |
58857-03-7 |
| C_ID |
C00038641
, 
|
| 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 |
CC1COC2(CC1OC(=O)c1ccc(O)cc1)OC1C3C(CC(O)C1(O)C2=O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1O)CS3=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phyllanthaceae | Breynia fruticosa  | Ref. |
|
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