| Name |
3'-O-beta-D-glucopyranosylcalactin
(+)-3'-O-beta-D-glucopyranosylcalactin |
| Formula |
C35H50O14 |
| Mw |
694.32005631 |
| CAS RN |
912539-80-1 |
| C_ID |
C00041275
, 
|
| InChIKey |
QHTLPWXBPOENQB-UIMSWHDWNA-N |
| InChICode |
InChI=1S/C35H50O14/c1-16-9-25(48-30-29(41)28(40)27(39)24(13-36)46-30)35(43)31(45-16)47-22-11-18-3-4-21-20(33(18,15-37)12-23(22)49-35)5-7-32(2)19(6-8-34(21,32)42)17-10-26(38)44-14-17/h10,15-16,18-25,27-31,36,39-43H,3-9,11-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,23-,24-,25-,27-,28+,29-,30+,31+,32-,33-,34+,35+/m1/s1 |
| SMILES |
C1[C@H](O[C@@H]2[C@]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(O[C@H]1[C@H](O2)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Pergularia tomentosa  | Ref. |
|
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