input word = C00012279

Metabolite InformationStructural formula
Name Linearilobin I
Formula C22H28O7
Mw 404.18350325
CAS RN 75683-55-5
C_ID C00012279 ,
InChIKey ADTBMZQXGAKNHO-JFZJTFBONA-N
InChICode InChI=1S/C22H28O7/c1-5-13(2)21(25)27-12-17-8-6-7-16(11-23)9-19-20(14(3)22(26)29-19)18(10-17)28-15(4)24/h5,8-9,18-20,23H,3,6-7,10-12H2,1-2,4H3/b13-5+,16-9-,17-8-/t18-,19+,20-/m1/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(/CC/C=C(/C[C@H]2OC(=O)C)\COC(=O)/C(=C/C)/C)\CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium linearilobum Ref.
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