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 c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeCerastium arvense Ref.
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