input word = C00012272

Metabolite InformationStructural formula
Name Linearilobin B
Formula C22H30O7
Mw 406.19915331
CAS RN 75683-60-2
C_ID C00012272 ,
InChIKey UGHNANZXTMNIQV-CHGLLVKUNA-N
InChICode InChI=1S/C22H30O7/c1-5-13(2)21(25)28-12-16-7-6-8-17(11-27-15(4)23)10-19-20(18(24)9-16)14(3)22(26)29-19/h7,10,13,18-20,24H,3,5-6,8-9,11-12H2,1-2,4H3/b16-7+,17-10+/t13-,18-,19+,20+/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(\CC/C=C(\C[C@H]2O)/COC(=O)[C@H](C)CC)/COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium linearilobum Ref.
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OrganismMelampodium linearilobum
ReferenceSeaman,Phytochem.,19,(1980),849