input word = C00001135

Metabolite InformationStructural formula
Name Gentianose
Formula C18H32O16
Mw 504.16903498
CAS RN 25954-44-3
C_ID C00001135 ,
InChIKey MUPFEKGTMRGPLJ-AOTGSADLNA-N
InChICode InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13+,14+,15-,16-,17-,18+/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[C@]1([C@@H]([C@@H]([C@H](O1)CO)O)O)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana lutea Ref.
PlantaeGentianaceaeGentiana spp. Ref.
PlantaeGentianaceaeGentiana straminea Ref.
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