input word = C00013644

Metabolite InformationStructural formula
Name 8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide)
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-Glucopyranosiduronic acid 2,4-bis(hydrogen sulfate)
Formula C21H18O18S2
Mw 621.99345524
CAS RN 351224-00-5
C_ID C00013644 ,
InChIKey QOKHDJUJQRSHRZ-QESJOZMINA-N
InChICode InChI=1S/C21H18O18S2/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)15(16(13)35-12)36-21-18(39-41(32,33)34)14(26)17(38-40(29,30)31)19(37-21)20(27)28/h1-6,14,17-19,21-23,25-26H,(H,27,28)(H,29,30,31)(H,32,33,34)/t14-,17-,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]1OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHelicteres isora Ref.
zoom in