input word = C00010570

Metabolite InformationStructural formula
Name Harpagide 7-acetate
8-Acetylharpagide
8-O-Acetylharpagide
Formula C17H26O11
Mw 406.14751167
CAS RN 6926-14-3
C_ID C00010570 ,
InChIKey CAFTUQNGDROXEZ-LDZUGCFSNA-N
InChICode InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3/t8-,9-,10-,11+,12+,13-,14-,15+,16+,17+/m1/s1
SMILES [C@]12([C@H]([C@@H](OC=C1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@@](C[C@H]2O)(C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga decumbens Ref.
PlantaeLabiataeAjuga pyramidalis Ref.
PlantaeLabiataeAjuga remota Ref.
PlantaeLabiataeAjuga reptans Ref.
PlantaeLabiataeAjuga taiwanensis Ref.
PlantaeLabiataeCaryopteris x Clandonensis Ref.
PlantaeLabiataeLamium galeobdolon L. ssp. galeobdolon Ref.
PlantaeLabiataeLeonurus persicus Ref.
PlantaeLabiataeMelittis melissophyllum Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
PlantaeLamiaceaeLamiastrum galeobdolon flavidum(L.)Ehrend et Polatschek. Ref.
PlantaePoaceaeTribolium castaneum Ref.
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OrganismAjuga reptans
ReferenceMalakov,Phytochem.,49,(1998),2443