input word = C00005708

Metabolite InformationStructural formula
Name Haploside B
Formula C22H22O13
Mw 494.10604079
CAS RN 77240-00-7
C_ID C00005708 ,
InChIKey VXAGYKCLEBBUTC-LNFWJEHENA-N
InChICode InChI=1S/C22H22O13/c1-32-10-4-7(2-3-8(10)24)20-18(30)16(28)13-9(25)5-11(15(27)21(13)35-20)33-22-19(31)17(29)14(26)12(6-23)34-22/h2-5,12,14,17,19,22-27,29-31H,6H2,1H3/t12-,14+,17-,19+,22+/m0/s1
SMILES COc1cc(-c2oc3c(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum dauricum Ref.
PlantaeRutaceaeHaplophyllum perforatum Ref.
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