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