input word = C00002378

Metabolite InformationStructural formula
Name Cyanin
Cyanidin 3,5-diglucoside
Formula C27H31O16
Mw 611.16120995
CAS RN 2611-67-8
C_ID C00002378 ,
InChIKey RDFLLVCQYHQOBU-ARDLSURDNA-O
InChICode InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19+,20+,21-,22+,23+,24+,26+,27+/m0/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(cc1)O)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
PlantaeAceraceaeDipteronia sinensis Ref.
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeBoraginaceaeLobostemon spp. Ref.
PlantaeBromeliaceaeAnanas comosus Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera caerulea Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeEricaceaeRhododendron spp. Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeEuphorbiaceaeEuphorbia tirucalli Ref.
PlantaeFabaceaeAcacia leucophloea Ref.
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeDesmodium aparines Ref.
PlantaeFabaceaeErythrina spp. Ref.
PlantaeFabaceaeLathyrus sativus Ref.
PlantaeFabaceaeMillettia zechiana Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaeSaraca indica Ref.
PlantaeFumariaceaeDicentra sp. Ref.
PlantaeGeraniaceaeGeranium sylvaticum Ref.
PlantaeGeraniaceaePelargonium dolomiticum Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeMalvaceaeHibiscus spp. Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMyrsinaceaeCyclamen persicum Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeOnagraceaeFuchsia sp. Ref.
PlantaePlantaginaceaePenstemon spp. Ref.
PlantaePolygonaceaeRheum spp. Ref.
PlantaeRosaceaeFragaria spp. Ref.
PlantaeRosaceaeMalus spp. Ref.
PlantaeRosaceaePrunus spp. Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeSaxifragaceaeSaxifraga sp. Ref.
PlantaeTheaceaeCamellia sp. Ref.
PlantaeVitaceaeVitis spp. Ref.
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