input word = C00000984

Metabolite InformationStructural formula
Name Narirutin
Formula C27H32O14
Mw 580.17920573
CAS RN 14259-46-2
C_ID C00000984 ,
InChIKey HXTFHSYLYXVTHC-RGNCLQGVNA-N
InChICode InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16+,18-,20+,21-,22-,23+,24+,25-,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCynara scolymus Ref.
PlantaeLamiaceaeAcinos suaveolens Ref.
PlantaeRubiaceaeHamelia patens Ref.
PlantaeRutaceaeCitrus aurantium L. var. amara Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus unshiu Markovich Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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