input word = C00004196

Metabolite InformationStructural formula
Name Apigenin 7-glucuronide-4'-(6''-malonylglucoside)
Formula C30H30O19
Mw 694.13812878
CAS RN 89483-03-4
C_ID C00004196 ,
InChIKey KWPZKEPPMDOLFK-SUTWEJJMNA-N
InChICode InChI=1S/C30H30O19/c31-13-5-12(46-30-26(41)23(38)24(39)27(49-30)28(42)43)6-16-20(13)14(32)7-15(47-16)10-1-3-11(4-2-10)45-29-25(40)22(37)21(36)17(48-29)9-44-19(35)8-18(33)34/h1-7,17,21-27,29-31,36-41H,8-9H2,(H,33,34)(H,42,43)/t17-,21-,22-,23+,24+,25-,26-,27-,29-,30-/m1/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)C(O)C5O)cc4o3)cc2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea cyanus Ref.
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OrganismCentaurea cyanus
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Tamura,Tetrahedryon Lett.,24,(1983),5749