input word = C00031975

Metabolite InformationStructural formula
Name Ligulacephalin A
Formula C26H28O6
Mw 436.18858863
CAS RN 876314-11-3
C_ID C00031975 ,
InChIKey FOBOWKZGEOSKGQ-QYRYXDJWNA-N
InChICode InChI=1S/C26H28O6/c1-25(23-11-15-9-19(27-3)21(29-5)13-17(15)31-23)7-8-26(25,2)24-12-16-10-20(28-4)22(30-6)14-18(16)32-24/h9-14H,7-8H2,1-6H3/t25-,26-/m1/s1
SMILES C1C[C@@]([C@]1(c1oc2c(c1)cc(c(c2)OC)OC)C)(c1cc2c(o1)cc(c(c2)OC)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia stenocephala MATSUM.ET KOIDZ Ref.
zoom in