input word = C00060550

Metabolite InformationStructural formula
Name 4-O-Sulfo-beta-D-glucopyranosyl abscisate
Formula C21H30O12S
Mw 506.14579715
CAS RN 1859953-56-2
C_ID C00060550
InChIKey YPUWFBBQAVDPOS-HCXGSUGJSA-N
InChICode InChI=1S/C21H30O12S/c1-11(5-6-21(27)12(2)8-13(23)9-20(21,3)4)7-15(24)32-19-17(26)16(25)18(14(10-22)31-19)33-34(28,29)30/h5-8,14,16-19,22,25-27H,9-10H2,1-4H3,(H,28,29,30)/b6-5+,11-7-/t14-,16-,17-,18-,19+,21-/m1/s1
SMILES CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CC(=O)OC1OC(CO)C(OS(=O)(=O)O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
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