input word = C00010165

Metabolite InformationStructural formula
Name Genistein 7-O-glucoside-4'-O-apioside
Neobacin
Formula C26H28O14
Mw 564.14790561
CAS RN 108069-00-7
C_ID C00010165 ,
InChIKey MYYACPYOKARWKL-SCGWLTPHNA-N
InChICode InChI=1S/C26H28O14/c27-7-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-8-14(19(18)30)11-1-3-12(4-2-11)38-25-23(34)26(35,9-28)10-37-25/h1-6,8,17,20-25,27-29,31-35H,7,9-10H2/t17-,20+,21-,22+,23+,24+,25-,26+/m0/s1
SMILES O=c1c(-c2ccc(O[C@@H]3OCC(O)(CO)[C@@H]3O)cc2)coc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia amboensis Ref.
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