| Name |
Premnoside A |
| Formula |
C39H44O20 |
| Mw |
832.24259385 |
| CAS RN |
125697-68-9 |
| C_ID |
C00010664
, 
|
| InChIKey |
KHFFJEIOVZPCNE-OCBAISETNA-N |
| InChICode |
InChI=1S/C39H44O20/c1-16-28(48)33(55-25(46)8-4-17-2-6-20(42)22(44)12-17)34(56-26(47)9-5-18-3-7-21(43)23(45)13-18)38(53-16)57-32-19-10-11-52-36(27(19)39(15-41)35(32)59-39)58-37-31(51)30(50)29(49)24(14-40)54-37/h2-13,16,19,24,27-38,40-45,48-51H,14-15H2,1H3/b8-4+,9-5+/t16-,19+,24-,27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37+,38-,39-/m1/s1 |
| SMILES |
[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C)O)OC(=O)/C=C/c1ccc(c(c1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O[C@H]1[C@@H]2[C@H]([C@@H](OC=C2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@@H]2O)O)O)CO)[C@@]2([C@H]1O2)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Premna odorata | Ref. |
|
|
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