input word = C00049601

Metabolite InformationStructural formula
Name 10-Deoxygeniposidic acid
Formula C16H22O9
Mw 358.1263823
CAS RN 27741-00-0
C_ID C00049601 ,
InChIKey HOKQPTUPMSNUAF-VENJGHBBNA-N
InChICode InChI=1S/C16H22O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
SMILES C1=C([C@@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=CC2)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus persicus Ref.
PlantaeScrophulariaceaeScrophularia dentata Ref.
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