input word = C00030092

Metabolite InformationStructural formula
Name Deacetyl asperuloside
Deacetylasperuloside
Formula C16H20O10
Mw 372.10564686
CAS RN 18843-01-1
C_ID C00030092 ,
InChIKey BDLDISNCZVBVKG-WYEYZBHNNA-N
InChICode InChI=1S/C16H20O10/c17-2-5-1-7-10-6(14(22)24-7)4-23-15(9(5)10)26-16-13(21)12(20)11(19)8(3-18)25-16/h1,4,7-13,15-21H,2-3H2/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
SMILES [C@H]1(OC=C2[C@@H]3[C@H]1C(=C[C@@H]3OC2=O)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
PlantaeRubiaceaeCoprosma pyrifolium Ref.
PlantaeRubiaceaeHedyotis hedyotidea Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
PlantaeRubiaceaeMorinda coreia Ref.
PlantaeRubiaceaeOldenlandia corymbosa Ref.
PlantaeRubiaceaePaederia scandens Ref.
PlantaeRubiaceaeSaprosma scortechinii Ref.
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