input word = C00006384

Metabolite InformationStructural formula
Name Isomollupentin 7-O-glucoside
Formula C26H28O14
Mw 564.14790561
CAS RN 97673-60-4
C_ID C00006384 ,
InChIKey QIJVNJMIZPPIAT-NRZTTYFPNA-N
InChICode InChI=1S/C26H28O14/c27-7-16-20(32)22(34)24(36)26(40-16)39-15-6-14-17(11(29)5-13(38-14)9-1-3-10(28)4-2-9)21(33)18(15)25-23(35)19(31)12(30)8-37-25/h1-6,12,16,19-20,22-28,30-36H,7-8H2/t12-,16+,19+,20+,22-,23-,24+,25+,26+/m0/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)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeCerastium arvense Ref.
PlantaeCaryophyllaceaeSpergularia rubra Ref.
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