input word = C00006686

Metabolite InformationStructural formula
Name Peonidin 3-rutinoside
Formula C28H33O15
Mw 609.18194539
CAS RN 27539-32-8
C_ID C00006686 ,
InChIKey ONQVTPMFYSRRLL-CTBZDELVNA-O
InChICode InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19-,20+,21-,22+,23-,24-,25+,27-,28-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera caerulea Ref.
PlantaeAraceaeSymplocarpus foetidus Ref.
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeBignoniaceaeTabebuia spp. Ref.
PlantaeFabaceaePhaseolus lunatus Ref.
PlantaeLauraceaeMachilus thunbergii Ref.
PlantaeMagnoliaceaeMagnolia spp. Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMusaceaeMusa acuminata Ref.
PlantaeMusaceaeMusa x paradisiaca Ref.
PlantaeOrchidaceaeDracula chimaera Ref.
PlantaePoaceaeSecale cereale Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeRosaceaeDuchesnea chrysantha Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus spp. Ref.
PlantaeRosaceaeRosa spp. Ref.
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