input word = C00006661

Metabolite InformationStructural formula
Name Cyanidin 3-neohesperidoside
Cyanidin 3-(2-rhamnosylglucoside)
Formula C27H31O15
Mw 595.16629532
CAS RN 54947-80-7
C_ID C00006661 ,
InChIKey MODDEUXQZZTKNN-OQRKVKFYNA-O
InChICode InChI=1S/C27H30O15/c1-9-19(33)21(35)23(37)26(38-9)42-25-22(36)20(34)18(8-28)41-27(25)40-17-7-12-14(31)5-11(29)6-16(12)39-24(17)10-2-3-13(30)15(32)4-10/h2-7,9,18-23,25-28,33-37H,8H2,1H3,(H3-,29,30,31,32)/p+1/t9-,18-,19-,20+,21+,22-,23-,25+,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[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus lawrencii Ref.
PlantaePodocarpaceaePodocarpus nivalis Ref.
PlantaePodocarpaceaePodocarpus totara Ref.
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