input word = C00000042

Metabolite InformationStructural formula
Name Gibberellin A42
GA42
Formula C20H30O6
Mw 366.20423869
CAS RN 52591-00-1
C_ID C00000042 ,
InChIKey RQSMCCOZKPTKGL-YJTNDWQNNA-N
InChICode InChI=1S/C20H30O6/c1-17-7-6-12(21)19(3,16(24)25)14(17)13(15(22)23)20-8-10(4-5-11(17)20)18(2,26)9-20/h10-14,21,26H,4-9H2,1-3H3,(H,22,23)(H,24,25)/t10-,11+,12+,13-,14+,17+,18-,19-,20-/m1/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H]2C(=O)O)C[C@@H](CC1)[C@](C3)(C)O)C)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeGibberella fujikuroi Ref.
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OrganismGibberella fujikuroi
ReferenceBearder,J.Chem.Soc.Perkin I, (1973),2824