input word = C00050608

Metabolite InformationStructural formula
Name (S,S)-(+)-Ligulacephalin A
(+)-(10S,10'S)-Ligulacephalin A
Formula C26H28O6
Mw 436.18858863
CAS RN 876057-08-8
C_ID C00050608
InChIKey WEPNMDNTFVMICP-OBXPXUJENA-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 COc1cc2c(cc1OC)CC([C@@]1(C)CC[C@]1(C)c1cc3cc(OC)c(OC)cc3o1)=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia stenocephala Ref.
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