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.
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