input word = C00006331

Metabolite InformationStructural formula
Name Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate
Formula C37H38O19
Mw 786.20072904
CAS RN 60077-50-1
C_ID C00006331 ,
InChIKey ANBZFYYSBLEBRA-HEVMXZKINA-N
InChICode InChI=1S/C37H38O19/c1-51-22-8-14(2-5-16(22)40)3-7-26(44)56-36-33(49)30(46)24(12-38)53-35(36)28-19(43)11-23-27(31(28)47)18(42)10-21(52-23)15-4-6-20(17(41)9-15)54-37-34(50)32(48)29(45)25(13-39)55-37/h2-11,24-25,29-30,32-41,43,45-50H,12-13H2,1H3/b7-3+/t24-,25-,29+,30+,32-,33-,34+,35-,36+,37+/m0/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@@H](O)[C@H](O)C(CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(O)c4)cc(=O)c3c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeCerastium arvense Ref.
PlantaeGentianaceaeGentiana burseri Ref.
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