input word = C00059516

Metabolite InformationStructural formula
Name Regaloside I
Formula C20H26O11
Mw 442.14751167
CAS RN 126239-78-9
C_ID C00059516
InChIKey CPSJADJRZYHWCV-UHFFFAOYSA-N
InChICode InChI=1S/C20H26O11/c1-11(22)28-9-14(30-16(24)7-4-12-2-5-13(23)6-3-12)10-29-20-19(27)18(26)17(25)15(8-21)31-20/h2-7,14-15,17-21,23,25-27H,8-10H2,1H3/b7-4+/t14-,15+,17+,18-,19+,20+/m0/s1;InChI=1S/C20H26O11/c1-11(22)28-9-14(30-16(24)7-4-12-2-5-13(23)6-3-12)10-29-20-19(27)18(26)17(25)15(8-21)31-20/h2-7,14-15,17-21,23,25-27H,8-10H2,1H3/b7-4+/t14-,15-,17-,18+,19-,20-/m0/s1
SMILES CC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)C=Cc1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeLilium auratum Ref.
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