input word = C00008223

Metabolite InformationStructural formula
Name Didymin
Isosakuranetin-7-rutinoside
Formula C28H34O14
Mw 594.1948558
CAS RN 14259-47-3
C_ID C00008223 ,
InChIKey RMCRQBAILCLJGU-USZZWXRFNA-N
InChICode InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23-,24-,25+,26+,27+,28+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMonarda didyma Ref.
PlantaeLabiataeMonarda didyma,Citrus spp. Ref.
PlantaeLamiaceaeAcinos alpinus Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeCitrus spp. Ref.
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