input word = C00004987

Metabolite InformationStructural formula
Name Gossypetin 3-O-sulfate
Formula C15H10O11S
Mw 397.99438189
CAS RN
C_ID C00004987 ,
InChIKey DKWTYAUCZMJXTJ-UHFFFAOYSA-N
InChICode InChI=1S/C15H10O11S/c16-6-2-1-5(3-7(6)17)13-15(26-27(22,23)24)12(21)10-8(18)4-9(19)11(20)14(10)25-13/h1-4,16-20H,(H,22,23,24)
SMILES c1(cc(c2c(c1O)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeMalva sylvestris Ref.
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