input word = C00059272

Metabolite InformationStructural formula
Name Regaloside A
Formula C18H24O10
Mw 400.13694699
CAS RN 114420-66-5
C_ID C00059272
InChIKey PADHSFRQMFRWLS-MUWVXHEGSA-N
InChICode InChI=1S/C18H24O10/c19-7-13-15(23)16(24)17(25)18(28-13)27-9-12(21)8-26-14(22)6-3-10-1-4-11(20)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+/t12-,13-,15-,16+,17-,18-/m1/s1;InChI=1S/C18H24O10/c19-7-13-15(23)16(24)17(25)18(28-13)27-9-12(21)8-26-14(22)6-3-10-1-4-11(20)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+/t12-,13?,15?,16?,17?,18?/m1/s1
SMILES O=C(C=Cc1ccc(O)cc1)OCC(O)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeLilium auratum Ref.
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