input word = C00005674

Metabolite InformationStructural formula
Name Jaceidin 7-neohesperidoside
Formula C30H36O17
Mw 668.19524973
CAS RN 101361-05-1
C_ID C00005674 ,
InChIKey HZEWHESQZMJCAC-LZIKIQTJNA-N
InChICode InChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-12(32)13(7-11)40-2/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3/t10-,16+,18+,19+,22+,23+,24-,28+,29+,30-/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)O)O)OC)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia occidentalis Ref.
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