input word = C00014091

Metabolite InformationStructural formula
Name Vitexin 6''-O-malonyl 2''-O-xyloside
Formula C29H30O17
Mw 650.14829954
CAS RN 205584-37-8
C_ID C00014091 ,
InChIKey QCKLWMZDBAKXMG-WVAZCFHUNA-N
InChICode InChI=1S/C29H30O17/c30-11-3-1-10(2-4-11)16-6-14(33)20-12(31)5-13(32)21(26(20)44-16)27-28(46-29-25(41)22(38)15(34)8-43-29)24(40)23(39)17(45-27)9-42-19(37)7-18(35)36/h1-6,15,17,22-25,27-32,34,38-41H,7-9H2,(H,35,36)/t15-,17-,22-,23-,24+,25-,27+,28-,29-/m1/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O[C@@H]2OC[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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