input word = C00031977

Metabolite InformationStructural formula
Name Ligulacephalin C
Formula C26H26O6
Mw 434.17293856
CAS RN 876314-13-5
C_ID C00031977 ,
InChIKey UYFWZQOVYGPJFE-UHFFFAOYNA-N
InChICode InChI=1S/C26H26O6/c1-14-7-8-26(2,23-10-15-9-19(27-3)21(29-5)12-17(15)31-23)24-16-11-20(28-4)22(30-6)13-18(16)32-25(14)24/h9-13H,1,7-8H2,2-6H3/t26-/m1/s1
SMILES C=C1CCC(C)(c2cc3cc(OC)c(OC)cc3o2)c2c1oc1cc(OC)c(OC)cc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia stenocephala MATSUM.ET KOIDZ Ref.
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