input word = C00055150

Metabolite InformationStructural formula
Name Ananaflavoside B
Formula C25H28O13
Mw 536.15299098
CAS RN 871840-61-8
C_ID C00055150
InChIKey FPDKKQNEMOGWRK-YZQASPGFSA-N
InChICode InChI=1S/C25H28O13/c1-32-14-5-10(12-7-11(27)18-13(36-12)8-16(34-3)24(35-4)20(18)29)6-15(33-2)23(14)38-25-22(31)21(30)19(28)17(9-26)37-25/h5-8,17,19,21-22,25-26,28-31H,9H2,1-4H3/t17-,19-,21+,22-,25+/m1/s1
SMILES OC1=C(OC)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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