input word = C00020505

Metabolite InformationStructural formula
Name Epicentaurepensin
Linichlorin B
Formula C19H23ClO6
Mw 382.11831618
CAS RN 66761-09-9
C_ID C00020505 ,
InChIKey MDFBCTWQQQIZSM-WSZNJYDWNA-N
InChICode InChI=1S/C19H23ClO6/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h11-16,21,24H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19+/m0/s1
SMILES C1(=O)O[C@H]2[C@H](C1=C)[C@H](CC(=C)[C@H]1[C@@H]2C(=C)[C@H](C1)O)OC(=O)[C@@](CCl)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea linifolia Ref.
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