Met008389: (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol

  Metabolite Information

Name
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
IUPAC Name
(3S,5S,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-AYWFNIBGSA-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-/m0/s1
Other Databases Link
PubChem:236180

  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

carrot
chickpea
mango
muskmelon
peach
taro
tomato
turnip
yam

  Metabolite Spectrum Accession Label

CAR00315p
CAR00332p
CAR00338p
CAR00397p
CHI00073p
CHI00100p
CHI00111p
CHI00160p
CHI00193p
CHI00287p
CHI00290p
CHI00365p
CHI00393p
CHI00439p
CHI00498p
CHI00508p
CHI00524p
CHI00531p
CHI00540p
CHI00546p
CHI00593p
CHI00622p
CHI00681p
CHI00741p
MAN00008p
MAN00028p
MAN00043p
MAN00051p
MAN00078p
MAN00097p
MAN00122p
MAN00135p
MAN00137p
MAN00138p
MAN00141p
MAN00171p
MAN00210p
MAN00252p
MAN00295p
MAN00307p
MAN00366p
MAN00388p
MAN00391p
MAN00437p
MAN00449p
MAN00450p
MAN00486p
MAN00503p
MAN00511p
MAN00538p
MAN00539p
MAN00557p
MAN00564p
MAN00584p
MAN00587p
MUS00013p
MUS00015p
MUS00023p
MUS00025p
MUS00032p
MUS00035p
MUS00042p
MUS00043p
MUS00048p
MUS00067p
MUS00074p
MUS00077p
MUS00089p
MUS00109p
MUS00115p
MUS00122p
MUS00136p
MUS00153p
MUS00175p
MUS00180p
MUS00183p
MUS00208p
MUS00209p
MUS00210p
MUS00212p
MUS00224p
MUS00225p
MUS00229p
MUS00237p
MUS00252p
MUS00253p
MUS00263p
MUS00276p
MUS00278p
MUS00279p
MUS00292p
MUS00297p
MUS00304p
MUS00305p
MUS00310p
MUS00313p
MUS00336p
MUS00349p
MUS00353p
MUS00362p
MUS00370p
MUS00372p
MUS00383p
MUS00384p
MUS00389p
MUS00393p
MUS00400p
MUS00416p
MUS00437p
MUS00439p
MUS00447p
PEACH00041p
PEACH00053p
PEACH00059p
PEACH00105p
PEACH00125p
PEACH00137p
PEACH00209p
PEACH00210p
PEACH00228p
PEACH00242p
PEACH00480p
PEACH00533p
PEACH00556p
PEACH00580p
TAR00002p
TAR00086p
TAR00107p
TAR00128p
TAR00147p
TAR00169p
TAR00184p
TAR00199p
TAR00208p
TAR00230p
TAR00245p
TAR00248p
TAR00279p
TAR00283p
TAR00319p
TAR00321p
TAR00324p
TAR00326p
TAR00327p
TOM00164p
TOM00262p
TOM00400p
TOM00632p
TOM00678p
TUR00032p
TUR00037p
TUR00046p
TUR00053p
TUR00076p
TUR00080p
TUR00106p
TUR00127p
TUR00144p
TUR00149p
TUR00183p
TUR00194p
TUR00227p
TUR00265p
TUR00283p
TUR00298p
TUR00315p
TUR00326p
TUR00328p
TUR00329p
TUR00342p
TUR00358p
TUR00399p
TUR00408p
TUR00435p
TUR00451p
TUR00467p
TUR00491p
TUR00493p
TUR00495p
YAM00025p
YAM00041p
YAM00056p
YAM00060p
YAM00106p
YAM00123p
YAM00153p
YAM00154p
YAM00164p
YAM00172p
YAM00182p
YAM00223p
YAM00241p
YAM00250p
YAM00258p
YAM00294p
YAM00308p
YAM00355p
YAM00371p
YAM00378p
YAM00394p
YAM00410p
YAM00414p
YAM00441p
YAM00444p
YAM00447p