input word = C00059418

Metabolite InformationStructural formula
Name Regaloside D
Formula C18H24O10
Mw 400.13694699
CAS RN 120601-66-3
C_ID C00059418
InChIKey HHNPREGNVCFCOP-MHSMMQCRSA-N
InChICode InChI=1S/C18H24O10/c19-7-12(27-18-17(25)16(24)15(23)13(8-20)28-18)9-26-14(22)6-3-10-1-4-11(21)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+;InChI=1S/C18H24O10/c19-7-12(27-18-17(25)16(24)15(23)13(8-20)28-18)9-26-14(22)6-3-10-1-4-11(21)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2;InChI=1S/C18H24O10/c19-7-12(27-18-17(25)16(24)15(23)13(8-20)28-18)9-26-14(22)6-3-10-1-4-11(21)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+/t12-,13+,15+,16-,17+,18+/m0/s1;InChI=1S/C18H24O10/c19-7-12(27-18-17(25)16(24)15(23)13(8-20)28-18)9-26-14(22)6-3-10-1-4-11(21)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(CO)OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeLilium auratum Ref.
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