input word = C00038964

Metabolite InformationStructural formula
Name Delphinidin 3-glucoside
Delphinidin 3-O-glucoside
Formula C21H21O12
Mw 465.10330114
CAS RN 50986-17-9
C_ID C00038964 ,
InChIKey OIZFQAFWYYKPMR-XERONKFZNA-N
InChICode InChI=1S/C21H21O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-30H,6H2/t15-,17-,18+,19-,21-/m1/s1
SMILES c1(cc(c2c(c1)[O]=C(C(=C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeBerberis microphylia Ref.
PlantaeEricaceaeVaccinium arboreum Marsh. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrtaceaePlinia cauliflora Ref.
PlantaeMyrtaceaePsidium cattleyanum Ref.
PlantaeRutaceaeCitrus sinensis Ref.
--Myrcianthes pungens Ref.
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OrganismCitrus sinensis
Referencehttps://doi.org/10.1080/14786419.2019.1696329