input word = C00031610

Metabolite InformationStructural formula
Name Atractyloside A 14-O-beta-D-fructofuranoside
Formula C27H46O15
Mw 610.2836708
CAS RN 643002-95-3
C_ID C00031610 ,
InChIKey DOVPOPWCZBPBQQ-UDNFNJFSNA-N
InChICode InChI=1S/C27H46O15/c1-24(2,42-23-21(35)20(34)18(32)15(8-28)40-23)12-4-5-26(38,14-7-17(31)25(3,37)13(14)6-12)11-39-27(10-30)22(36)19(33)16(9-29)41-27/h12-16,18-23,28-30,32-38H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,18-,19-,20+,21-,22+,23+,25+,26+,27-/m1/s1
SMILES CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](O)(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H]2CC(=O)[C@@](C)(O)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylodes lancea Ref.
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