input word = C00036785

Metabolite InformationStructural formula
Name Atticin
(+)-Atticin
Formula C23H32O10
Mw 468.19954724
CAS RN 328059-72-9
C_ID C00036785 ,
InChIKey DIHJNCJEIOMBSV-DEGFVTPQNA-N
InChICode InChI=1S/C23H32O10/c1-11(15(26)10-32-13(3)25)22(30)33-16-8-23(4)17(27)7-6-14(9-24)19(23)20(28)18(16)12(2)21(29)31-5/h9,14-20,26-28H,1-2,6-8,10H2,3-5H3/t14-,15-,16+,17-,18-,19-,20-,23+/m1/s1
SMILES C1C[C@H]([C@]2([C@H]([C@H]1C=O)[C@@H]([C@@H]([C@H](C2)OC(=O)C(=C)[C@@H](COC(=O)C)O)C(=C)C(=O)OC)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea attica ssp.attica Ref.
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