input word = C00006386

Metabolite InformationStructural formula
Name Isomollupentin 2''-O-glucoside
Formula C26H28O14
Mw 564.14790561
CAS RN 97641-06-0
C_ID C00006386 ,
InChIKey LOCBOCXGFMHGIJ-XEOHYIRONA-N
InChICode InChI=1S/C26H28O14/c27-7-16-20(33)22(35)23(36)26(39-16)40-25-19(32)13(31)8-37-24(25)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16-,19+,20-,22+,23+,24+,25+,26+/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3OC[C@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeCerastium arvense Ref.
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