input word = C00011540

Metabolite InformationStructural formula
Name Nigellic acid
Formula C15H20O5
Mw 280.13107375
CAS RN 91897-25-5
C_ID C00011540 ,
InChIKey ZGHRCSAIMSBFLK-MFGOFURRNA-N
InChICode InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t15-/m1/s1
SMILES C1C([C@@](C(=CC1=O)CO)(O)/C=C/C(=C\C(=O)O)/C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthium strumarium Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeRanunculaceaeNigella damascena Ref.
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