input word = C00014871

Metabolite InformationStructural formula
Name 5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside
Formula C24H21O12
Mw 501.10330114
CAS RN 680227-23-0
C_ID C00014871 ,
InChIKey AXDSYHMPWOHFSW-GQRMPDOWNA-O
InChICode InChI=1S/C24H20O12/c25-8-16-18(28)19(29)20(30)24(35-16)36-22-12-7-15(23(31)32)33-13-5-11(27)6-14(17(12)13)34-21(22)9-1-3-10(26)4-2-9/h1-7,16,18-20,24-25,28-30H,8H2,(H2-,26,27,31,32)/p+1/t16-,18-,19+,20-,24+/m1/s1
SMILES O=C(O)C1=Cc2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(-c3ccc(O)cc3)[o+]c3cc(O)cc(c23)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria x ananassa Ref.
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