input word = C00003230

Metabolite InformationStructural formula
Name Centaurepensin
Chlorohyssopifolin A
Formula C19H24Cl2O7
Mw 434.08990854
CAS RN 37006-36-3
C_ID C00003230 ,
InChIKey NUVAJKJDTZTFLK-PTHMVFLLNA-N
InChICode InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@](C)(O)CCl)CC(=C)[C@@H]1C[C@@H](O)[C@](O)(CCl)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcroptilon repens Ref.
PlantaeAsteraceaeCentaurea hyssopifolia Ref.
PlantaeAsteraceaeCentaurea spp. Ref.
PlantaeAsteraceaeSerratula strangulata Ref.
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OrganismCentaurea hyssopifolia
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51