Met003487: (3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol

  Metabolite Information

Name
(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
IUPAC Name
(3R,5R,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Molecular Formula
C20H33FO3
Molecular Weight
340.5
Exact Mass
340.2413731
SMILES
CC12CCC(CC1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F)O
InChIKey
XKASGEXHNLDQIB-ZPPBZJDISA-N
InChI
InChI=1S/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17+,18+,19+,20+/m1/s1
Other Databases Link
PubChem:229735

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Steroids and steroid derivatives
            Subclass: Androstane steroids

  Crops containing this metabolite

banana
broccoli
cucumber
garlic
grape
pea
peanut
potato
watermelon

  Metabolite Spectrum Accession Label

BAN00018p
BAN00019p
BAN00057p
BAN00058p
BAN00228p
BAN00276p
BAN00390p
BAN00408p
BAN00447p
BAN00463p
BAN00586p
BAN00609p
BAN00621p
BAN00678p
BROC00689p
CUC00298p
GAR00146p
GAR00147p
GAR00186p
GAR00198p
GAR00222p
GAR00233p
GAR00260p
GAR00316p
GAR00354p
GAR00565p
GAR00587p
GRA00001p
GRA00018p
GRA00049p
GRA00050p
GRA00063p
GRA00070p
GRA00090p
GRA00166p
GRA00167p
GRA00178p
GRA00200p
GRA00297p
GRA00307p
GRA00362p
GRA00369p
GRA00403p
GRA00450p
GRA00470p
GRA00485p
GRA00500p
GRA00521p
GRA00522p
GRA00566p
PEA00200p
PEA00556p
PEAN00003p
PEAN00012p
PEAN00019p
PEAN00116p
PEAN00146p
PEAN00160p
PEAN00181p
PEAN00267p
PEAN00308p
PEAN00402p
PEAN00409p
PEAN00436p
PEAN00480p
PEAN00525p
PEAN00547p
PEAN00595p
PEAN00603p
PEAN00624p
PEAN00656p
PEAN00704p
PEAN00756p
PEAN00789p
PEAN00873p
PEAN00887p
PEAN00892p
POT00049p
POT00109p
POT00457p
POT00511p
WAT00223p