input word = C00020442

Metabolite InformationStructural formula
Name Chlorohyssopifolin D
Formula C21H29ClO8
Mw 444.15509561
CAS RN 54278-79-4
C_ID C00020442 ,
InChIKey BKGOOGOAAWZTIY-UHFFFAOYNA-N
InChICode InChI=1S/C21H29ClO8/c1-5-28-20(4,9-23)19(26)29-13-6-10(2)12-7-14(24)21(27,8-22)16(12)17-15(13)11(3)18(25)30-17/h12-17,23-24,27H,2-3,5-9H2,1,4H3/t12-,13-,14+,15+,16+,17+,20+,21+/m1/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)(CO)OCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea linifolia Ref.
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