input word = C00013694

Metabolite InformationStructural formula
Name Nepetin 7-rhamnoside-3'-xyloside
Formula C27H30O15
Mw 594.15847029
CAS RN
C_ID C00013694 ,
InChIKey IZTPDWABAMXXLT-JHFHZXBXNA-N
InChICode InChI=1S/C27H30O15/c1-9-19(31)22(34)24(36)27(39-9)42-17-7-16-18(21(33)25(17)37-2)12(29)6-14(40-16)10-3-4-11(28)15(5-10)41-26-23(35)20(32)13(30)8-38-26/h3-7,9,13,19-20,22-24,26-28,30-36H,8H2,1-2H3/t9-,13-,19-,20+,22+,23+,24-,26+,27-/m0/s1
SMILES c1c(cc(c(c1)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c1oc2c(c(=O)c1)c(c(c(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium ambrosioides Ref.
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