input word = C00005673

Metabolite InformationStructural formula
Name Jaceidin 4'-glucuronide
Formula C24H24O14
Mw 536.11660548
CAS RN 195206-66-7
C_ID C00005673 ,
InChIKey IXUDTZUOBGRRSD-FUNODKARNA-N
InChICode InChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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