input word = C00006636

Metabolite InformationStructural formula
Name Pelargonidin 3-sophoroside
Formula C27H31O15
Mw 595.16629532
CAS RN 34365-81-6
C_ID C00006636 ,
InChIKey HASVPNDDKSXPGU-XWOBYZRTNA-O
InChICode InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1/t17-,18+,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1
SMILES OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaryllidaceaeCyrtanthus angustifolia Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus canadensis Ref.
PlantaeFabaceaeAmphithalea spp. Ref.
PlantaeFabaceaeCoelidium spp. Ref.
PlantaeFabaceaeErythrina spp. Ref.
PlantaeFabaceaeHypocalyptus spp. Ref.
PlantaeFabaceaeLiparia spp. Ref.
PlantaeFabaceaePhaseolus multiflorus Ref.
PlantaePapaveraceaePapaver orientale Ref.
PlantaePapaveraceaePapaver rhoeas Ref.
PlantaeTropaeolaceaeTropaeolum majus Ref.
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