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 OCC1O[C@H](O[C@@H]2C(O)C(O)[C@@H](CO)O[C@H]2O[C@]2(CO)O[C@H](CO)[C@H](O)C2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica archangelica Ref.
--Umbelliferae Ref.
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