input word = C00050607

Metabolite InformationStructural formula
Name (R,R)-(+)-Ligulacephalin B
(+)-(10R,10'R)-Ligulacephalin B
Formula C26H28O7
Mw 452.18350325
CAS RN 876057-10-2
C_ID C00050607
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 COc1cc2cc([C@@]3(C)CC[C@](C)(c4cc5cc(OC)c(OC)cc5o4)O3)oc2cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia stenocephala Ref.
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