input word = C00054531

Metabolite InformationStructural formula
Name Ceracyanin
Cyanidin 3-O-rutinoside
Formula C27H31O15
Mw 595.16629532
CAS RN 28338-59-2
C_ID C00054531
InChIKey USNPULRDBDVJAO-CJMRGEILSA-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 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaePalmaeEuterpe oleracea Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
--Prunus Ref.
--Viola Ref.
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OrganismTriticum aestivum
Referencehttps://doi.org/10.1016/j.foodchem.2018.01.170