input word = C00063018

Metabolite InformationStructural formula
Name 2,2-Dimethyl Gibberellin A4
Formula C21H28O5
Mw 360.193674
CAS RN 79035-06-6
C_ID C00063018
InChIKey FGSSZPPPKWMFHU-NGLWCRRRSA-N
InChICode InChI=1S/C21H28O5/c1-10-7-20-8-11(10)5-6-12(20)21-9-18(2,3)16(24)19(4,17(25)26-21)14(21)13(20)15(22)23/h11-14,16,24H,1,5-9H2,2-4H3,(H,22,23)/t11?,12-,13-,14-,16+,19+,20+,21-/m1/s1;InChI=1S/C21H28O5/c1-10-7-20-8-11(10)5-6-12(20)21-9-18(2,3)16(24)19(4,17(25)26-21)14(21)13(20)15(22)23/h11-14,16,24H,1,5-9H2,2-4H3,(H,22,23);InChI=1S/C21H28O5/c1-10-7-20-8-11(10)5-6-12(20)21-9-18(2,3)16(24)19(4,17(25)26-21)14(21)13(20)15(22)23/h11-14,16,24H,1,5-9H2,2-4H3,(H,22,23)/t11-,12-,13-,14-,16+,19+,20+,21-/m1/s1
SMILES C=C1CC23CC1CCC2C12CC(C)(C)C(O)C(C)(C(=O)O1)C2C3C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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