input word = C00004498

Metabolite InformationStructural formula
Name 8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)
Formula C21H18O15S
Mw 542.03664064
CAS RN
C_ID C00004498 ,
InChIKey YXRZGHMJJBESFR-HTSGMBFKNA-N
InChICode InChI=1S/C21H18O15S/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)16(17(13)33-12)34-21-19(36-37(30,31)32)15(27)14(26)18(35-21)20(28)29/h1-6,14-15,18-19,21-23,25-27H,(H,28,29)(H,30,31,32)/t14-,15-,18-,19+,21+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(OS(=O)(=O)O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHelicteres angustifolia Ref.
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