input word = C00020441

Metabolite InformationStructural formula
Name Chlorohyssopifolin E
Formula C19H25ClO8
Mw 416.12379549
CAS RN 54278-80-7
C_ID C00020441 ,
InChIKey MMJRTQVKSDYEAG-UHFFFAOYNA-N
InChICode InChI=1S/C19H25ClO8/c1-8-4-11(27-17(24)18(3,25)7-21)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)6-20/h10-15,21-22,25-26H,1-2,4-7H2,3H3/t10-,11-,12-,13-,14+,15+,18-,19+/m0/s1
SMILES C1(=O)O[C@@H]2[C@@H](C1=C)[C@H](CC(=C)[C@H]1[C@H]2[C@@]([C@H](C1)O)(O)CCl)OC(=O)[C@@](C)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea linifolia Ref.
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