input word = C00011734

Metabolite InformationStructural formula
Name Neoliacinic acid
Formula C15H18O8
Mw 326.10016755
CAS RN 116428-58-1
C_ID C00011734 ,
InChIKey ICEOXHAJZGHJNJ-FZRGNPDBNA-N
InChICode InChI=1S/C15H18O8/c1-6-5-9(16)15(21,7(2)12(17)18)11-10-14(20,13(19)23-11)4-3-8(6)22-10/h5,7-8,10-11,20-21H,3-4H2,1-2H3,(H,17,18)/b6-5-/t7-,8+,10+,11-,14+,15-/m1/s1
SMILES C1C[C@@]2([C@H]3O[C@@H]1C(=CC(=O)[C@]([C@@H]3OC2=O)(O)[C@@H](C(=O)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeNeolitsea aciculata Ref.
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