input word = C00055350

Metabolite InformationStructural formula
Name Demethyl 2''-epifraxamoside
Formula C24H28O13
Mw 524.15299098
CAS RN 946568-33-8
C_ID C00055350
InChIKey HYGUFHOLLCKYHM-BASFMAEZSA-N
InChICode InChI=1S/C24H28O13/c1-2-11-12-6-18(27)34-8-16(10-3-4-14(25)15(26)5-10)33-9-17-19(28)20(29)21(30)24(36-17)37-23(11)35-7-13(12)22(31)32/h2-5,7,12,16-17,19-21,23-26,28-30H,6,8-9H2,1H3,(H,31,32)/b11-2+/t12-,16+,17+,19+,20-,21+,23-,24-/m0/s1
SMILES O=C1OC[C@@](C2=CC(O)=C(O)C=C2)([H])OC[C@](O3)([H])[C@@H](O)[C@H](O)[C@@H](O)[C@]3([H])O[C@](/C4=C/C)([H])OC=C(C(O)=O)[C@@]4([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum grandiflorum Ref.
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