input word = C00004145

Metabolite InformationStructural formula
Name Apigenin 7-galacturonide
Formula C21H18O11
Mw 446.08491142
CAS RN 56317-11-4
C_ID C00004145 ,
InChIKey JBFOLLJCGUCDQP-ADLQHHKBNA-N
InChICode InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17+,18+,19+,21+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCallicarpa japonica Thunb.var.luxurians Rehd. Ref.
PlantaeMarchantiaceaeMarchantia berteroana Ref.
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