input word = C00010778

Metabolite InformationStructural formula
Name Ligustaloside A
Formula C25H32O14
Mw 556.17920573
CAS RN 85527-07-7
C_ID C00010778 ,
InChIKey WDYYXHRRDDQKPP-CRWKYTNDNA-N
InChICode InChI=1S/C25H32O14/c1-35-23(34)15-11-37-24(39-25-22(33)21(32)20(31)18(10-27)38-25)13(4-6-26)14(15)9-19(30)36-7-5-12-2-3-16(28)17(29)8-12/h2-3,6,8,11,13-14,18,20-22,24-25,27-29,31-33H,4-5,7,9-10H2,1H3/t13-,14-,18-,20+,21-,22-,24+,25-/m0/s1
SMILES [C@@H]1([C@@H]([C@H](OC=C1C(=O)OC)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)CC=O)CC(=O)OCCc1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeLigustrum japonicum Ref.
PlantaeOleaceaeLigustrum lucidum Ref.
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OrganismLigustrum lucidum
ReferenceInouye,Phytochem.,21,(1982),2305