input word = C00001438

Metabolite InformationStructural formula
Name Anthemis glycoside A
Formula C39H49NO21
Mw 867.27970764
CAS RN 89354-48-3
C_ID C00001438 ,
InChIKey GVPIOFYEBVTHHT-FDRCVBFJNA-N
InChICode InChI=1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22+,23-,24-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35+,36+,37+,38-,39+/m1/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@H](O[C@@H]1CO[C@H]1[C@H]([C@H]([C@H](CO1)OC(=O)/C=C/c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)O)O)O)O[C@H](C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis altissima Ref.
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