| Name |
Pasternoside |
| Formula |
C28H32O16 |
| Mw |
624.16903498 |
| CAS RN |
10576-85-9 |
| C_ID |
C00056832
|
| InChIKey |
ZLIPIZSDFWLLOS-VWYOPEFQSA-N |
| InChICode |
InChI=1S/C28H32O16/c1-9-18(33)20(35)22(37)27(40-9)42-14-4-3-10(5-15(14)39-2)24-26(19(34)17-12(31)6-11(30)7-16(17)41-24)44-28-23(38)21(36)25(43-28)13(32)8-29/h3-7,9,13,18,20-23,25,27-33,35-38H,8H2,1-2H3/t9-,13+,18-,20+,21-,22+,23-,25-,27-,28+/m1/s1 |
| SMILES |
OC1=C2C(OC(C3=CC(OC)=C(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)C=C3)=C(O[C@H]5[C@H](O)[C@@H](O)[C@@]([H])([C@@H](O)CO)O5)C2=O)=CC(O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Pastinaca sativa  | Ref. |
|
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