input word = C00006639

Metabolite InformationStructural formula
Name Pelargonidin 3-rutinoside
Formula C27H31O14
Mw 579.1713807
CAS RN 33978-17-5
C_ID C00006639 ,
InChIKey IFYOHQQBIKDHFT-UFZXBIHZNA-O
InChICode InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,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)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlstroemeriaceaeAlstroemeria spp. Ref.
PlantaeAmaryllidaceaeClivia nobilis Ref.
PlantaeAraceaeAnthurium spp. Ref.
PlantaeAraceaeDracontium spp. Ref.
PlantaeAraceaeXanthosoma spp. Ref.
PlantaeBignoniaceaeSpathodea campanulata Ref.
PlantaeBromeliaceaePitcairnia spp. Ref.
PlantaeCaryophyllaceaeSilene dioica Ref.
PlantaeEuphorbiaceaeEuphorbia heterophylla Ref.
PlantaeEuphorbiaceaePoinsettia spp. Ref.
PlantaeFabaceaeDelonix regia Ref.
PlantaeGesneriaceaeEpiscia spp. Ref.
PlantaeGesneriaceaeKohleria bogotensis Ref.
PlantaeGesneriaceaeRhabdothamnus solandri Ref.
PlantaeLiliaceaeTulipa spp. Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMusaceaeMusa x paradisiaca Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus sargentii Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeRubiaceaeDamnacanthus macrophyllus Ref.
PlantaeRubiaceaeLasianthus japonicus Ref.
PlantaeRubiaceaeMitchella undulata Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaePetunia exserta Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
--Slanum betacea Ref.
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