input word = C00004147

Metabolite InformationStructural formula
Name Apigenin 7-(6''-methylgalacturonide)
Formula C22H20O11
Mw 460.10056148
CAS RN 29781-25-7
C_ID C00004147 ,
InChIKey XXKIWCKZQFBXIR-PRRKTDEPNA-N
InChICode InChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18+,19-,20+,22+/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)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea calcitrapa Ref.
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