input word = C00049175

Metabolite InformationStructural formula
Name Hedyotoside
Formula C17H22O10
Mw 386.12129692
CAS RN 210109-25-4
C_ID C00049175 ,
InChIKey JUUXJEFDOVFXHJ-FDMRVTDUNA-N
InChICode InChI=1S/C17H22O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2-3,6,10-14,16-22H,4-5H2,1H3/t10-,11-,12-,13+,14-,16+,17+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C(C2=CC=C([C@@H]12)CO)C(=O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis hedyotidea Ref.
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OrganismHedyotis hedyotidea
ReferencePeng,Phytochem.,48,(1998),1657