input word = C00003206

Metabolite InformationStructural formula
Name Acroptilin
Formula C19H23ClO7
Mw 398.1132308
CAS RN 41787-75-1
C_ID C00003206 ,
InChIKey RFRUYYQMUJRBAN-QUQPTUSRNA-N
InChICode InChI=1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15+,18+,19-/m0/s1
SMILES [C@@H]12[C@@H]([C@H]3[C@@H]([C@H](CC1=C)OC(=O)[C@](C)(O)CCl)C(=C)C(=O)O3)[C@]1([C@H](C2)O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcroptilon repens Ref.
PlantaeAsteraceaeCentaurea hyrcanica Ref.
PlantaeAsteraceaeCentaurea hyssopifolia Ref.
PlantaeAsteraceaeCentaurea linifolia Ref.
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OrganismAcroptilon repens
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51