input word = C00001153

Metabolite InformationStructural formula
Name Umbelliferose
Formula C18H32O16
Mw 504.16903498
CAS RN 546-60-1
C_ID C00001153 ,
InChIKey LNRUEZIDUKQGRH-LPDIYGDGNA-N
InChICode InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6+,7+,8-,9+,10-,11-,12+,13-,14+,15-,16+,17-,18-/m0/s1
SMILES [C@H]1([C@@H]([C@@H]([C@@](O1)(O[C@H]1[C@H](O[C@@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)[C@@H]([C@@H]([C@H](O1)CO)O)O)CO)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
--Umbelliferae Ref.
zoom in