input word = C00046996

Metabolite InformationStructural formula
Name 6alpha-Hydroxyandrosta-1,4-diene-3,17-dione
Formula C19H24O3
Mw 300.17254463
CAS RN 21661-22-3
C_ID C00046996 ,
InChIKey JCJRNURQXRSFJI-CYZMSXLQNA-N
InChICode InChI=1S/C19H24O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h5,7,9,12-14,16,21H,3-4,6,8,10H2,1-2H3/t12-,13-,14-,16-,18+,19-/m0/s1
SMILES C1=C[C@]2(C(=CC1=O)[C@H](C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia rubiginosa Ref.
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OrganismAglaia rubiginosa
ReferenceWeber,J.Nat.Prod.,63,(2000),636