input word = C00004462

Metabolite InformationStructural formula
Name Tricin 7-neohesperidoside
Formula C29H34O16
Mw 638.18468504
CAS RN 53766-40-8
C_ID C00004462 ,
InChIKey AIBMPOJXBGZIPQ-NKYBNLAUNA-N
InChICode InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19-,21-,23+,24-,25-,26+,27+,28-,29+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)OC)O)OC)O)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
PlantaePoaceaeSaccharum officinarum Ref.
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