input word = C00031612

Metabolite InformationStructural formula
Name Atractyloside G 2-O-beta-D-glucopyranoside
Formula C27H46O13
Mw 578.29384156
CAS RN 643003-02-5
C_ID C00031612 ,
InChIKey AASRSGDPYRSOIV-XGKJTUFFNA-N
InChICode InChI=1S/C27H46O13/c1-11-13-7-12(26(2,3)40-25-23(36)21(34)19(32)16(10-29)39-25)5-6-27(13,4)8-14(17(11)30)37-24-22(35)20(33)18(31)15(9-28)38-24/h12-25,28-36H,1,5-10H2,2-4H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25+,27+/m1/s1
SMILES [C@@H]1([C@@H](C[C@]2([C@H](C1=C)C[C@@H](CC2)C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylodes lancea Ref.
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