input word = C00056326

Metabolite InformationStructural formula
Name 4-beta-Gentiobiosylglucose
Formula C18H32O16
Mw 504.16903498
CAS RN 100676-05-9
C_ID C00056326
InChIKey ZCLAHGAZPPEVDX-PCWYJHDDSA-N
InChICode InChI=1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15+,16+,17+,18-/m0/s1
SMILES O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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