input word = C00055151

Metabolite InformationStructural formula
Name Ananaflavoside C
Formula C24H26O13
Mw 522.13734092
CAS RN 871840-62-9
C_ID C00055151
InChIKey DGEBPOBEINLYFH-YVJQXIOPSA-N
InChICode InChI=1S/C24H26O13/c1-32-13-7-12-17(20(29)18(13)27)10(26)6-11(35-12)9-4-14(33-2)23(15(5-9)34-3)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 OC1=C(O)C(OC)=CC2=C1C(C=C(C3=CC(OC)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(OC)=C3)O2)=O
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)