| Name |
Avenacin B-2 |
| Formula |
C54H80O20 |
| Mw |
1048.524295 |
| CAS RN |
90547-93-6 |
| C_ID |
C00003503
, 
|
| InChIKey |
RTMPAEPNXWUCGZ-KTYWTVTMNA-N |
| InChICode |
InChI=1S/C54H80O20/c1-48(2)29-13-16-52(6)30(17-34-54(74-34)31-18-49(3,24-57)35(71-44(66)25-11-9-8-10-12-25)20-51(31,5)32(58)19-53(52,54)7)50(29,4)15-14-33(48)72-47-43(73-46-42(65)40(63)37(60)27(22-56)69-46)38(61)28(23-67-47)70-45-41(64)39(62)36(59)26(21-55)68-45/h8-12,24,26-43,45-47,55-56,58-65H,13-23H2,1-7H3/t26-,27+,28-,29?,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41-,42+,43+,45+,46+,47-,49+,50+,51+,52-,53+,54-/m1/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@]3([C@@H](C1)O3)[C@H]1[C@@]([C@H](C2)O)(C[C@@H]([C@](C1)(C)C=O)OC(=O)c1ccccc1)C)C)C)C)(C)C)O[C@@H]1[C@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Avena sativa  | Ref. |
|
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