input word = C00053253

Metabolite InformationStructural formula
Name Gentiobiose
Formula C12H22O11
Mw 342.11621155
CAS RN 554-91-6
C_ID C00053253
InChIKey AYRXSINWFIIFAE-UDKQPYHCSA-N
InChICode InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12+/m0/s1
SMILES O[C@H]1[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma medicaginis Ref.
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeOxalidaceaeAverrhoa carambola Ref.
PlantaePoaceaeTriticum aestivum Ref.
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OrganismGentiana straminea
ReferencePan, Z. et al., Molecules, 24, (2019), 4478.