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 CC1=C[C@H](O/C=C2/C(=O)O[C@H]3C4=C(CCC(=O)C4(C)C)[C@H](O)[C@@H]23)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum usitatissimum Ref.
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