input word = C00029704

Metabolite InformationStructural formula
Name Apodanthoside
Formula C17H22O11
Mw 402.11621155
CAS RN 73528-73-1
C_ID C00029704 ,
InChIKey QXLZMFXGMGPPHW-UHFFFAOYNA-N
InChICode InChI=1S/C17H22O11/c1-25-15(24)8-5-26-16(10-6(8)2-3-7(10)14(22)23)28-17-13(21)12(20)11(19)9(4-18)27-17/h2-3,5-7,9-13,16-21H,4H2,1H3,(H,22,23)/t6-,7-,9+,10+,11+,12-,13+,16-,17+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)[C@@H](C=C2)C(=O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeDioecrescis erythroclada Ref.
PlantaeRubiaceaeFeretia apodanthera Ref.
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