input word = C00017302

Metabolite InformationStructural formula
Name Ligolide
Formula C16H22O4
Mw 278.15180919
CAS RN 62078-12-0
C_ID C00017302 ,
InChIKey NWIQYROLUSXJOB-RGMMXDPINA-N
InChICode InChI=1S/C16H22O4/c1-9-6-5-7-16(18)8-11-12(10(2)14(17)20-11)13(19-4)15(9,16)3/h8-9,13,18H,5-7H2,1-4H3/t9-,13+,15-,16-/m0/s1
SMILES C1C[C@@H]([C@@]2([C@](C1)(C=C1C(=C(C(=O)O1)C)[C@H]2OC)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia macrophylla Ref.
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OrganismLigularia macrophylla
ReferenceNitonova,Khim.Prir.Soedin.,(1976),742