input word = C00055152

Metabolite InformationStructural formula
Name Ananaflavoside D
Formula C24H26O13
Mw 522.13734092
CAS RN 871840-63-0
C_ID C00055152
InChIKey XSBMRTRHCCQTJR-YVJQXIOPSA-N
InChICode InChI=1S/C24H26O13/c1-32-13-4-9(5-14(33-2)18(13)27)11-6-10(26)17-12(35-11)7-15(34-3)23(20(17)29)37-24-22(31)21(30)19(28)16(8-25)36-24/h4-7,16,19,21-22,24-25,27-31H,8H2,1-3H3/t16-,19-,21+,22-,24+/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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OrganismAnanas comosus
ReferenceRao, K. et al., Proc. - Indian Acad. Sci., Sect. A, 1949, 29, 72-79 (synth)