input word = C00010677

Metabolite InformationStructural formula
Name Scabroside
Formula C15H22O10
Mw 362.12129692
CAS RN 51848-03-4
C_ID C00010677 ,
InChIKey RTVGHDMOWLNNHR-AZWCILAJNA-N
InChICode InChI=1S/C15H22O10/c1-4-3-22-13(6-10-11(24-10)12(20)15(4,6)21)25-14-9(19)8(18)7(17)5(2-16)23-14/h3,5-14,16-21H,2H2,1H3/t5-,6+,7-,8+,9+,10-,11-,12-,13+,14+,15+/m1/s1
SMILES [C@@]12([C@H]([C@@H](OC=C1C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@@H]1[C@H]([C@H]2O)O1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana scabra Ref.
PlantaeHydrangeaceaeDeutzia scabra Ref.
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OrganismGentiana scabra
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)