input word = C00006335

Metabolite InformationStructural formula
Name Spinosin 6'''-(E)-ferulate
Formula C38H40O18
Mw 784.22146448
CAS RN 77690-92-7
C_ID C00006335 ,
InChIKey WZAXZHIVHPRTIU-AVCRBDEZNA-N
InChICode InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/b10-4+/t25-,26-,30-,31-,33-,34+,35-,36+,37-,38+/m1/s1
SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3[C@@H](O)[C@H](O)C(CO)O[C@H]3c3c(OC)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)C(O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
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OrganismZiziphus jujuba
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 549,C-glycosylflavones

Woo,Phytochem.,19,(1980),2791