input word = C00056904

Metabolite InformationStructural formula
Name 7-Oxoorobanchol
Formula C19H20O7
Mw 360.12090299
CAS RN 1256840-96-6
C_ID C00056904
InChIKey CHKDOMXJQUEQLN-MLFNZRKISA-N
InChICode InChI=1S/C19H20O7/c1-8-6-12(25-17(8)22)24-7-10-13-15(21)9-4-5-11(20)19(2,3)14(9)16(13)26-18(10)23/h6-7,12-13,15-16,21H,4-5H2,1-3H3/b10-7+/t12-,13-,15+,16-/m1/s1
SMILES O=C1CCC2=C([C@@](OC(/C3=C/O[C@H]4C=C(C)C(O4)=O)=O)([H])[C@@]3([H])[C@H]2O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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OrganismLinum usitatissimum
ReferenceMuller, S. et al., J. Plant Growth Regul., 1992, 11, 77-84 (Alectrol, isol)