input word = C00017008

Metabolite InformationStructural formula
Name Isosenescaposone
Formula C23H32O5
Mw 388.22497413
CAS RN 69734-55-0
C_ID C00017008 ,
InChIKey JIJBMACTNXVQDV-UHFFFAOYNA-N
InChICode InChI=1S/C23H32O5/c1-14(2)19-12-23(6)16(4)21(9-8-18(23)11-20(19)25)28-22(26)10-7-15(3)13-27-17(5)24/h7,10-11,15-16,21H,8-9,12-13H2,1-6H3/b10-7+/t15-,16+,21-,23-/m0/s1
SMILES [C@@H]1(CCC2=CC(=O)C(=C(C)C)C[C@]2([C@@H]1C)C)OC(=O)/C=C/[C@@H](COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio scaposus Ref.
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OrganismSenecio scaposus
ReferenceBohlmann,Phytochem.,17,(1978),1337