input word = C00054902

Metabolite InformationStructural formula
Name Ananaflavoside A
Formula C24H26O12
Mw 506.1424263
CAS RN 199925-44-5
C_ID C00054902
InChIKey VEXAWZKDFANDTL-YVTYUBGGSA-N
InChICode InChI=1S/C24H26O12/c1-31-11-6-12(26)19-13(27)8-14(34-15(19)7-11)10-4-16(32-2)23(17(5-10)33-3)36-24-22(30)21(29)20(28)18(9-25)35-24/h4-8,18,20-22,24-26,28-30H,9H2,1-3H3/t18-,20-,21+,22-,24+/m1/s1
SMILES COc1cc(O)c2c(=O)cc(-c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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OrganismAnanas comosus
ReferenceMalcher, E. et al., Acta Polon. Pharm., 1967, 24, 339 (isol, struct)