input word = C00003382

Metabolite InformationStructural formula
Name Ursiniolide A
Formula C22H28O7
Mw 404.18350325
CAS RN 52677-96-0
C_ID C00003382 ,
InChIKey XBYFQUZGOAYUQG-CWVLBIJSNA-N
InChICode InChI=1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7+,12-10+/t14-,16+,17-,18-,19?,22-/m1/s1
SMILES C\1=C(/C[C@H]([C@@H]2[C@@H](/C=C(/[C@H](C1)OC(=O)C)\C)OC(=O)C2=C)OC(=O)[C@]1([C@H](O1)C)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeUrsinia anthemoides Ref.
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