input word = C00012271

Metabolite InformationStructural formula
Name Linearilobin A
Formula C21H28O7
Mw 392.18350325
CAS RN 75683-61-3
C_ID C00012271 ,
InChIKey ZGKLCOHEADTJRJ-CNHQQOERNA-N
InChICode InChI=1S/C21H28O7/c1-12(2)20(24)27-11-15-6-5-7-16(10-26-14(4)22)9-18-19(17(23)8-15)13(3)21(25)28-18/h6,9,12,17-19,23H,3,5,7-8,10-11H2,1-2,4H3/b15-6+,16-9+/t17-,18-,19-/m1/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)/C=C(\CC/C=C(\C[C@H]2O)/COC(=O)C(C)C)/COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium linearilobum Ref.
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