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 OCC1O[C@@H](OCC2O[C@H](O[C@]3(CO)O[C@H](CO)C(O)[C@H]3O)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana lutea Ref.
PlantaeGentianaceaeGentiana spp. Ref.
PlantaeGentianaceaeGentiana straminea Ref.
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OrganismGentiana straminea
ReferencePan, Z. et al., Molecules, 24, (2019), 4478.