input word = C00030375

Metabolite InformationStructural formula
Name Gentioside
Formula C25H28O14
Mw 552.14790561
CAS RN 529-48-6
C_ID C00030375 ,
InChIKey DNIDCQUDANKQTL-LWAOGCTDNA-N
InChICode InChI=1S/C25H28O14/c1-34-9-2-3-14-11(4-9)18(28)17-12(26)5-10(6-15(17)38-14)37-25-23(33)21(31)20(30)16(39-25)8-36-24-22(32)19(29)13(27)7-35-24/h2-6,13,16,19-27,29-33H,7-8H2,1H3/t13-,16-,19+,20-,21+,22+,23-,24-,25-/m1/s1
SMILES COc1ccc2oc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana cruciata Ref.
PlantaeGentianaceaeGentiana dinarica Ref.
PlantaeGentianaceaeGentiana lutea Ref.
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OrganismGentiana cruciata
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 2, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.