input word = C00031976

Metabolite InformationStructural formula
Name Ligulacephalin B
Formula C26H28O7
Mw 452.18350325
CAS RN 876314-12-4
C_ID C00031976 ,
InChIKey HCGBJFMVVXYYQU-QYRYXDJWNA-N
InChICode InChI=1S/C26H28O7/c1-25(23-11-15-9-19(27-3)21(29-5)13-17(15)31-23)7-8-26(2,33-25)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@@](c2cc3c(o2)cc(c(c3)OC)OC)(C)O[C@]1(c1oc2c(c1)cc(c(c2)OC)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia stenocephala MATSUM.ET KOIDZ Ref.
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