input word = C00042271

Metabolite InformationStructural formula
Name Babylin B
Formula C19H24O8
Mw 380.14711774
CAS RN 159305-69-8
C_ID C00042271 ,
InChIKey VWYMVCZLRRVYJQ-OAPYLBMONA-N
InChICode InChI=1S/C19H24O8/c1-8-4-11(26-17(23)18(3)7-25-18)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14,24)6-20/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@]2(O)CO)O)OC(=O)[C@]1(CO1)C)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