input word = C00000068

Metabolite InformationStructural formula
Name Gibberellin A68
GA68
Formula C19H22O6
Mw 346.14163844
CAS RN 71177-41-8
C_ID C00000068 ,
InChIKey ZKSDYVWXHSIQFM-LSJKZAHQNA-N
InChICode InChI=1S/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)/t9-,10-,11+,12-,13-,14-,17-,18-,19-/m1/s1
SMILES C=C1C2CC[C@H]3[C@@]45C=C[C@H](O)[C@](C)(C(=O)O4)[C@H]5[C@H](C(=O)O)[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeMalvaceaeMalva sylvestris Ref.
PlantaeRosaceaeMalus domestica Ref.
PlantaeRosaceaePrunus persica Ref.
PlantaeRosaceaePyrus communis Ref.
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OrganismHelianthus annuus
ReferenceDolan,J. Chem. Soc. Perkin Trans. I,12,(1985),2741