input word = C00006638

Metabolite InformationStructural formula
Name Pelargonidin 3-neohesperidoside
Pelargonidin 3-(2-rhamnosylglucoside)
Formula C27H31O14
Mw 579.1713807
CAS RN 118964-12-8
C_ID C00006638 ,
InChIKey LOTQYUGZMRODMN-IKTZUDQQNA-O
InChICode InChI=1S/C27H30O14/c1-10-19(32)21(34)23(36)26(37-10)41-25-22(35)20(33)18(9-28)40-27(25)39-17-8-14-15(31)6-13(30)7-16(14)38-24(17)11-2-4-12(29)5-3-11/h2-8,10,18-23,25-28,32-36H,9H2,1H3,(H2-,29,30,31)/p+1/t10-,18-,19-,20+,21+,22-,23-,25+,26-,27+/m0/s1
SMILES CC1O[C@@H](OC2C(O)[C@H](O)C(CO)O[C@H]2Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaeDacrycarpus dacrydioides Ref.
PlantaePodocarpaceaeMicrocachrys tetragona Ref.
zoom in



OrganismDacrycarpus dacrydioides
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Crowden,Phytochem.,13,(1974),2877

Andersen,Acta Chem. Scand. Ser. B,42,(1988),462