input word = C00004156

Metabolite InformationStructural formula
Name Apigenin 7-O-rutinoside
Apigenin 7-O-beta-rutinoside
Apigenin 7-rutinoside
Formula C27H30O14
Mw 578.16355567
CAS RN 552-57-8
C_ID C00004156 ,
InChIKey FKIYLTVJPDLUDL-XPQRYFGPNA-N
InChICode InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/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)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
PlantaeAsteraceaeOnopordum acanthium Ref.
PlantaeAsteraceaeSaussurea medusa Ref.
PlantaeBiebersteiniaceaeBiebersteinia orphanidis Ref.
PlantaeCaryophyllaceaePratia nummularia Ref.
PlantaeFabaceaeOxytropis campestris Ref.
PlantaeLabiataeMentha aquatica L. Ref.
PlantaeLabiataeSalvia horminum Ref.
PlantaeRutaceaeCitrus paradisi Ref.
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