input word = C00006663

Metabolite InformationStructural formula
Name Cyanidin 3-arabinoside-5-glucoside
Formula C26H29O15
Mw 581.15064526
CAS RN
C_ID C00006663 ,
InChIKey RDPDRUIPCDMFNQ-KVZKOCCENA-O
InChICode InChI=1S/C26H28O15/c27-7-18-20(33)21(34)23(36)26(41-18)39-16-5-10(28)4-15-11(16)6-17(40-25-22(35)19(32)14(31)8-37-25)24(38-15)9-1-2-12(29)13(30)3-9/h1-6,14,18-23,25-27,31-36H,7-8H2,(H2-,28,29,30)/p+1/t14-,18+,19-,20+,21-,22-,23+,25-,26+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(c(c1)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
PlantaeEricaceaeRhododendron simsii Ref.
PlantaePolygonaceaePolygonum spp. Ref.
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