input word = C00006630

Metabolite InformationStructural formula
Name Callistephin
Pelargonidin 3-O-beta-D-glucopyranoside
Formula C21H21O10
Mw 433.11347189
CAS RN 18466-51-8
C_ID C00006630 ,
InChIKey ABVCUBUIXWJYSE-DNLILFCWNA-O
InChICode InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1
SMILES OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera caerulea Ref.
PlantaeAsteraceaeCallistephus chinensis Ref.
PlantaeBalsaminaceaeImpatiens balsamina Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeConvolvulaceaeIpomoea nil Ref.
PlantaeCruciferaeMatthiola incana Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeEuphorbiaceaePoinsettia spp. Ref.
PlantaeFabaceaeErythrina spp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMyrsinaceaeAnagallis arvensis Ref.
PlantaeMyrtaceaeEucalyptus citriodora Ref.
PlantaeMyrtaceaeEugenia umbelliflora Ref.
PlantaeOrchidaceaeBroughtonia spp. Ref.
PlantaePassifloraceaePassiflora edulis Ref.
PlantaePassifloraceaePassiflora suberosa Ref.
PlantaePhrymaceaeMimulus cardinalis Ref.
PlantaePhrymaceaeMimulus lewisii Ref.
PlantaePlantaginaceaePenstemon spp. Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeZea mays Ref.
PlantaePodocarpaceaeDacrydium spp. Ref.
PlantaePodocarpaceaePodocarpus spp. Ref.
PlantaeRosaceaeFragaria x ananassa Ref.
PlantaeRosaceaePrunus spp. Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeSolanaceaePetunia exserta Ref.
PlantaeVitaceaeVitis vinifera Ref.
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