input word = C00044171

Metabolite InformationStructural formula
Name Gibberellin A112
GA112
Formula C20H28O5
Mw 348.193674
CAS RN 90806-15-8
C_ID C00044171 ,
InChIKey RVQCZHZIMZMGAD-AXXPZJFANA-N
InChICode InChI=1S/C20H28O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11?,12-,13+,14-,15+,18+,19-,20-/m1/s1
SMILES C1C[C@@]([C@@H]2[C@@](C1)([C@H]1[C@]3([C@H]2C(=O)O)C[C@@H]([C@@H](C1)O)C(=C)C3)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeMatthiola incana Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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