input word = C00030992

Metabolite InformationStructural formula
Name Philadelphinone
Formula C25H38O6
Mw 434.26683895
CAS RN 640289-62-9
C_ID C00030992 ,
InChIKey XNBKYMZRNPITHX-YOAOPQFXNA-N
InChICode InChI=1S/C25H38O6/c1-15(2)14-17(27)29-13-12-22(5)10-11-25(31-22)23(6)16(26)8-9-21(3,4)19(23)18(28)20-24(25,7)30-20/h14,18-20,28H,8-13H2,1-7H3/t18-,19+,20-,22-,23+,24-,25+/m0/s1
SMILES CC(C)=CC(=O)OCC[C@]1(C)CC[C@]2(O1)[C@@]1(C)O[C@H]1[C@@H](O)[C@@H]1C(C)(C)CCC(=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErigeron philadelphicus Ref.
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OrganismErigeron philadelphicus
ReferenceIijima,Chem.Pharm.Bull.,51,(2003),545