input word = C00002387

Metabolite InformationStructural formula
Name Pelargonin
Pelargonidin 3,5-di-beta-D-glucoside
Formula C27H31O15
Mw 595.16629532
CAS RN 17334-58-6
C_ID C00002387 ,
InChIKey SLCKJKWFULXZBD-ARDLSURDNA-O
InChICode InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/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)c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeRuellia spp. Ref.
PlantaeBalsaminaceaeImpatiens balsamina Ref.
PlantaeBurseraceaeCommiphora mukul Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeCaryophyllaceaeSilene dioica Ref.
PlantaeCombretaceaeLumnitzera littorea Ref.
PlantaeConvolvulaceaeIpomoea nil Ref.
PlantaeFabaceaeErythrina suberosa Ref.
PlantaeFabaceaeLathyrus odoratus Ref.
PlantaeFabaceaeLathyrus sativus Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeSaraca indica Ref.
PlantaeGeraniaceaePelargonium dolomiticum Ref.
PlantaeGeraniaceaePelargonium zonale Ref.
PlantaeIridaceaeGladiolus spp. Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrtaceaeCallistemon lanceolatus Ref.
PlantaeNymphaeaceaeVictoria regia Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaeOrchidaceaeBroughtonia spp. Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismCapsicum annuum
Referencehttps://doi.org/10.1016/j.foodchem.2019.125629