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 COC(=O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea calcitrapa Ref.
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