| Name |
Reiniose H |
| Formula |
C54H64O29 |
| Mw |
1176.35332609 |
| CAS RN |
162478-58-2 |
| C_ID |
C00046877
, 
|
| InChIKey |
CAAOZKYDLNHIQO-MZOARWOINA-N |
| InChICode |
InChI=1S/C54H64O29/c1-25(57)72-22-35-40(64)43(67)45(69)52(76-35)79-47-46(78-38(62)18-12-27-9-14-30(59)15-10-27)36(23-73-26(2)58)77-53(48(47)80-51-44(68)42(66)39(63)33(20-55)75-51)83-54(24-74-37(61)17-13-28-11-16-31(60)32(19-28)71-3)49(41(65)34(21-56)82-54)81-50(70)29-7-5-4-6-8-29/h4-19,33-36,39-49,51-53,55-56,59-60,63-69H,20-24H2,1-3H3/b17-13+,18-12+/t33-,34-,35-,36-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49+,51+,52+,53-,54+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)O[C@H]1[C@H](OC(=O)/C=C/c2ccc(cc2)O)[C@H](O[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)/C=C/c1cc(c(cc1)O)OC)COC(=O)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala nitida | Ref. |
| Plantae | Polygalaceae | Polygala wattersii | Ref. |
|
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