input word = C00064029

Metabolite InformationStructural formula
Name Somnifericin
Formula C28H42O7
Mw 490.2930537
CAS RN 173693-57-7
C_ID C00064029
InChIKey RYHUVBZFHPPSHQ-DAKZBPTQSA-N
InChICode InChI=1S/C28H42O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31-32,34H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1
SMILES CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC(O)C5(O)C(O)CCC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
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