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 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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