input word = C00005671

Metabolite InformationStructural formula
Name Jacein
Formula C24H26O13
Mw 522.13734092
CAS RN 35305-11-4
C_ID C00005671 ,
InChIKey NYTZRFVFIRTFIX-QOFGLXMFNA-N
InChICode InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(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-/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)O)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea bracteata Scop. Ref.
PlantaeAsteraceaeCentaurea hyssopifolia Ref.
PlantaeAsteraceaeCentaurea jacea Ref.
PlantaeAsteraceaeDesmanthodium spp. Ref.
PlantaeAsteraceaeTetragonotheca ludoviciana Ref.
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OrganismCentaurea bracteata Scop.
ReferenceFlamini,Phytochem.,57,(2001),559