input word = C00036521

Metabolite InformationStructural formula
Name 3,6'-Disinapoyl sucrose
Formula C34H42O19
Mw 754.23202916
CAS RN 139891-98-8
C_ID C00036521 ,
InChIKey FHIJMQWMMZEFBL-PYXALCMANA-N
InChICode InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m1/s1
SMILES O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)O)O)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
PlantaePolygalaceaePolygala tenuifolia Willd. Ref.
PlantaeRutaceaeRuta graveolens Ref.
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