input word = C00004205

Metabolite InformationStructural formula
Name Acacetin-7-O-rutinoside
Linarin
Acacetin 7-O-rutinoside
Acacetin 7-rutinoside
Buddleoflavonoloside
Formula C28H32O14
Mw 592.17920573
CAS RN 480-36-4
C_ID C00004205 ,
InChIKey YFVGIJBUXMQFOF-VIIPAZCZNA-N
InChICode InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19-,21-,22+,23-,24-,25-,26-,27+,28+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)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
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeCirsium arvense Ref.
PlantaeLabiataeMentha aquatica L. Ref.
PlantaeLabiataeTeucridium parvifolium Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaePlantaginaceaeLinaria vulgaris Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana hardwickii Ref.
--Melandrum firmum Ref.
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OrganismCirsium arvense
ReferenceRendyuk,Khim.Prir.Soedin.,(1977),282