input word = C00005675

Metabolite InformationStructural formula
Name Centaurein
Formula C24H26O13
Mw 522.13734092
CAS RN 35595-03-0
C_ID C00005675 ,
InChIKey GGMCFLXPZMBJMV-QOFGLXMFNA-N
InChICode InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16+,19-,20-,24+/m0/s1
SMILES COc1ccc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(OC)c(O)c3c(=O)c2OC)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrickellia glutinosBrickellia glutinosa Ref.
PlantaeAsteraceaeCentaurea jacea Ref.
PlantaeAsteraceaeTetragonotheca helianthoides Ref.
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