input word = C00053737

Metabolite InformationStructural formula
Name Qinjiaoside A
Formula C17H24O11
Mw 404.13186161
CAS RN 157536-50-0
C_ID C00053737
InChIKey CHXZUVLAFSTMQP-YLIUOUOZSA-N
InChICode InChI=1S/C17H24O11/c1-3-6-9-7(19)5-25-14(23)10(9)16(24-2)27-15(6)28-17-13(22)12(21)11(20)8(4-18)26-17/h3,6-8,11-13,15-22H,1,4-5H2,2H3/t6-,7+,8-,11-,12+,13-,15+,16+,17+/m1/s1
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@@H]2C=C)O[C@H](OC)C3=C2[C@@H](O)COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
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