input word = C00042270

Metabolite InformationStructural formula
Name Babylin A
Formula C19H24O8
Mw 380.14711774
CAS RN 861887-09-4
C_ID C00042270 ,
InChIKey KAFUTOLVDAYQDU-OAPYLBMONA-N
InChICode InChI=1S/C19H24O8/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/h10-15,20-21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15+,18+,19+/m0/s1
SMILES [C@@H]12[C@H]3[C@@H]([C@H](CC(=C)[C@@H]1C[C@@H]([C@@]12CO1)O)OC(=O)[C@](CO)(C)O)C(=C)C(=O)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea babylonica Ref.
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OrganismCentaurea babylonica
ReferenceBruno,J.Nat.Prod.,68,(2005),1042