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 c1(cc2c3c(c1)[o+]c(c(c3C=C(O2)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria x ananassa Ref.
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OrganismFragaria x ananassa
ReferenceAndersen,Phytochem.,65,(2004),405