input word = C00010777

Metabolite InformationStructural formula
Name Ligustaloside B
Formula C25H32O13
Mw 540.18429111
CAS RN 85527-08-8
C_ID C00010777 ,
InChIKey JLTFCZQTUVJHDV-ADBIEMSTNA-N
InChICode InChI=1S/C25H32O13/c1-34-23(33)17-12-36-24(38-25-22(32)21(31)20(30)18(11-27)37-25)15(6-8-26)16(17)10-19(29)35-9-7-13-2-4-14(28)5-3-13/h2-5,8,12,15-16,18,20-22,24-25,27-28,30-32H,6-7,9-11H2,1H3/t15-,16-,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)OCCc1ccc(cc1)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