input word = C00002376

Metabolite InformationStructural formula
Name Antirrhinin
Cyanidin 3-rutinoside
Formula C27H31O15.Cl
Mw 630.13514803
CAS RN 18719-76-1
C_ID C00002376 ,
InChIKey USNPULRDBDVJAO-ZZPKNHKLNA-O
InChICode InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,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[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera caerulea Ref.
PlantaeAceraceaeDipteronia sinensis Ref.
PlantaeAlstroemeriaceaeAlstroemeria sp. Ref.
PlantaeAraceaeAnthurium andraeanum Ref.
PlantaeAraceaeArum maculatum Ref.
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeAsteraceaeCosmos bipinnatus Ref.
PlantaeBignoniaceaeArrabidaea spp. Ref.
PlantaeBignoniaceaeIncarvillea delavayi Ref.
PlantaeBoraginaceaeLobostemon spp. Ref.
PlantaeCalochortaceaeTricyrtis formosana Ref.
PlantaeCannaceaeCanna x generalis Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus suecica Ref.
PlantaeEuphorbiaceaeManihot utilissima Ref.
PlantaeEuphorbiaceaePoinsettia spp. Ref.
PlantaeLauraceaeCinnamomum spp. Ref.
PlantaeLiliaceaeTulipa gesneriana Ref.
PlantaeLinaceaeLinum grandiflorum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMagnoliaceaeMagnolia spp. Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMusaceaeMusa acuminata Ref.
PlantaeMusaceaeMusa x paradisiaca Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaeOrchidaceaeDracula chimaera Ref.
PlantaePalmaeEuterpe edulis Ref.
PlantaePalmaeEuterpe oleracea Ref.
PlantaePalmaePinanga polymorpha Ref.
PlantaePlantaginaceaeAntirrhinum majus Ref.
PlantaePoaceaeAlopecurus spp. Ref.
PlantaePoaceaeAnthoxanthum spp. Ref.
PlantaePoaceaeAvenula spp. Ref.
PlantaePoaceaeBothriochloa spp. Ref.
PlantaePoaceaeDactylis spp. Ref.
PlantaePoaceaeDeschampsia spp. Ref.
PlantaePoaceaeElymus spp. Ref.
PlantaePoaceaeFestuca spp. Ref.
PlantaePoaceaeHordeum spp. Ref.
PlantaePoaceaeMiscanthus spp. Ref.
PlantaePoaceaeMolinia spp. Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeOryza spp. Ref.
PlantaePoaceaePennisetum setaceum Ref.
PlantaePoaceaePhalaris spp. Ref.
PlantaePoaceaePhleum spp. Ref.
PlantaePoaceaePoa spp. Ref.
PlantaePoaceaeSecale sp. Ref.
PlantaePoaceaeSinarundinaria spp. Ref.
PlantaePoaceaeTriticum sp. Ref.
PlantaePolygonaceaeRheum spp. Ref.
PlantaePolygonaceaeRumex spp. Ref.
PlantaeRosaceaePotentilla atrosanguinea Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus cerasus Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeSalicaceaePopulus tremula Ref.
PlantaeSapindaceaeAcer buergerianum Ref.
PlantaeSapindaceaeAcer palmatum Ref.
PlantaeSapindaceaeLitchi chinensis Ref.
PlantaeSolanaceaePetunia exserta Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.