input word = C00001142

Metabolite InformationStructural formula
Name Melibiose
Formula C12H22O11
Mw 342.11621155
CAS RN 585-99-9
C_ID C00001142 ,
InChIKey DLRVVLDZNNYCBX-QVVOTYHANA-N
InChICode InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4+,5-,6+,7+,8+,9+,10-,11-,12+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO)OC[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeRosaceaePyrus malus Ref.
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OrganismPyrus malus
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1,(1992),309C