input word = C00006385

Metabolite InformationStructural formula
Name Isomollupentin 4'-O-glucoside
Formula C26H28O14
Mw 564.14790561
CAS RN 97641-05-9
C_ID C00006385 ,
InChIKey RTCCQGYJNSZWSM-PVXWHLCBNA-N
InChICode InChI=1S/C26H28O14/c27-7-16-20(32)22(34)24(36)26(40-16)38-10-3-1-9(2-4-10)14-5-11(28)17-15(39-14)6-12(29)18(21(17)33)25-23(35)19(31)13(30)8-37-25/h1-6,13,16,19-20,22-27,29-36H,7-8H2/t13-,16+,19+,20+,22+,23+,24+,25+,26+/m0/s1
SMILES O=c1cc(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)cc2)oc2cc(O)c([C@@H]3OC[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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OrganismCerastium arvense
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones

Dubois,Phytochem.,24,(1985),1077