input word = C00062780

Metabolite InformationStructural formula
Name Clausenolide
Formula C25H32O8
Mw 460.209718
CAS RN 71899-58-6
C_ID C00062780
InChIKey ABUJYLRTXBVIRH-SIDDCGDDSA-N
InChICode InChI=1S/C25H32O8/c1-20(2)14-9-15(27)23(5)16(22(14,4)24(6,29)33-20)13(26)10-21(3)17(12-7-8-30-11-12)31-19(28)18-25(21,23)32-18/h7-8,11,13-14,16-18,26,29H,9-10H2,1-6H3/t13-,14?,16?,17-,18+,21-,22-,23+,24-,25+/m0/s1
SMILES CC1(C)OC(C)(O)C2(C)C1CC(=O)C1(C)C2C(O)CC2(C)C(c3ccoc3)OC(=O)C3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeClausena excavata Ref.
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