input word = C00006658

Metabolite InformationStructural formula
Name Cyanidin 3-sophoroside
Formula C27H31O16
Mw 611.16120995
CAS RN 38820-68-7,18376-31-3
C_ID C00006658 ,
InChIKey SXYMMDGPXYVCER-XWOBYZRTNA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18+,19-,20-,21+,22+,23-,25-,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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStapelia spp. Ref.
PlantaeAquifoliaceaeIlex pubescens Ref.
PlantaeAsteraceaeCynara scolymus Ref.
PlantaeConvolvulaceaeIpomoea purpurea Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus spp. Ref.
PlantaeCrassulaceaeCotyledon spp. Ref.
PlantaeCrassulaceaeCrassula spp. Ref.
PlantaeCrassulaceaeTylecodon spp. Ref.
PlantaeFabaceaeAmphithalea spp. Ref.
PlantaeFabaceaeCoelidium spp. Ref.
PlantaeFabaceaeErythrina spp. Ref.
PlantaeFabaceaeHypocalyptus spp. Ref.
PlantaeFabaceaeLiparia spp. Ref.
PlantaeGrossulariaceaeRibes spp. Ref.
PlantaeMalvaceaeAbelmoschus spp. Ref.
PlantaeMalvaceaeThespesia spp. Ref.
PlantaePapaveraceaePapaver bracteatum Ref.
PlantaeRosaceaePrunus cerasus Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeRosaceaeRubus idaeus Ref.
PlantaeSolanaceaeNicotiana setchellii Ref.
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