input word = C00006404

Metabolite InformationStructural formula
Name Vitexin 7-O-rutinoside
Formula C33H40O19
Mw 740.2163791
CAS RN 61527-72-8
C_ID C00006404 ,
InChIKey HGBXMQQIDYBMQP-BHUKTCDENA-N
InChICode InChI=1S/C33H40O19/c1-10-21(38)24(41)28(45)32(48-10)47-9-18-23(40)26(43)29(46)33(52-18)51-16-7-14(37)19-13(36)6-15(11-2-4-12(35)5-3-11)49-30(19)20(16)31-27(44)25(42)22(39)17(8-34)50-31/h2-7,10,17-18,21-29,31-35,37-46H,8-9H2,1H3/t10-,17-,18+,21-,22+,23+,24-,25-,26-,27-,28+,29-,31-,32+,33+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaePhoenix rupicola Ref.
PlantaePalmaePhoenix tomentosa Ref.
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