input word = C00033417

Metabolite InformationStructural formula
Name Telephiose A
(-)-Telephiose A
Formula C36H44O20
Mw 796.24259385
CAS RN 297749-29-2
C_ID C00033417 ,
InChIKey DHHYXQWKYIOFAB-XQERCOEFNA-N
InChICode InChI=1S/C36H44O20/c1-17(39)48-15-23-29(52-32(46)19-9-5-3-6-10-19)28(45)30(53-34-27(44)26(43)24(41)21(13-37)50-34)35(51-23)56-36(16-49-18(2)40)31(25(42)22(14-38)55-36)54-33(47)20-11-7-4-8-12-20/h3-12,21-31,34-35,37-38,41-45H,13-16H2,1-2H3/t21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31+,34+,35-,36+/m1/s1
SMILES [C@@H]1(O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)OC(=O)c1ccccc1)COC(=O)C)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala telephioides WILLD. Ref.
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OrganismPolygala telephioides WILLD.
ReferenceLi,Chem.Pharm.Bull.,48,(2000),1223