input word = C00037678

Metabolite InformationStructural formula
Name Pratialin A
(-)-Pratialin A
Formula C26H38O12
Mw 542.23632668
CAS RN 539856-76-3
C_ID C00037678 ,
InChIKey ZJCWKPYYOCTDJH-JJYQFDNGNA-N
InChICode InChI=1S/C26H38O12/c1-3-4-5-6-8-11-16(28)17(12-9-7-10-13-27)37-26-24(34)22(32)20(30)18(38-26)14-35-25-23(33)21(31)19(29)15(2)36-25/h3-4,9,12,15-34H,7,10,13-14H2,1-2H3/b4-3+,12-9+/t15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25?,26+/m0/s1
SMILES C/C=C/C#CC#CC(O)C(/C=C/CCCO)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePratia nummularia Ref.
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