input word = C00012321

Metabolite InformationStructural formula
Name Neoliacin
Neoliacine
Formula C15H14O6
Mw 290.07903818
CAS RN 88653-68-3
C_ID C00012321 ,
InChIKey RRNMDHLOLUUHIK-ZMOZBLIUNA-N
InChICode InChI=1S/C15H14O6/c1-6-5-15-9(7(2)12(16)21-15)10-11-14(20-11,13(17)18-10)4-3-8(6)19-15/h5,8,10-11H,3-4H2,1-2H3/t8-,10+,11?,14+,15+/m1/s1
SMILES C1(=O)O[C@@H]2[C@@H]3[C@]1(CC[C@@H]1C(=C[C@]4(C2=C(C(=O)O4)C)O1)C)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeNeolitsea aciculata Ref.
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