input word = C00006129

Metabolite InformationStructural formula
Name Isoswertisin
7-O-Methylvitexin
Isoflavocommelitin
8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Formula C22H22O10
Mw 446.12129692
CAS RN 6980-40-1
C_ID C00006129 ,
InChIKey HHPLIFSIFJSIBY-PLAKOYNZNA-N
InChICode InChI=1S/C22H22O10/c1-30-14-7-12(26)16-11(25)6-13(9-2-4-10(24)5-3-9)31-21(16)17(14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-24,26-29H,8H2,1H3/t15-,18+,19-,20+,22-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea cyanus Ref.
PlantaeGentianaceaeSwertia spp. Ref.
PlantaeMolluginaceaeMollugo distica Ref.
PlantaeRanunculaceaeTrollius ledebouri Ref.
PlantaeRanunculaceaeTrollius ledebourii Ref.
PlantaeRutaceaeGalipea trifoliata Ref.
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