input word = C00045295

Metabolite InformationStructural formula
Name Dunniana acid B
(+)-Dunniana acid B
Formula C20H32O3
Mw 320.23514489
CAS RN 410533-03-8
C_ID C00045295 ,
InChIKey OACSWPFHEOKUGW-LCHBMYDUNA-N
InChICode InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)16(12-21)11-17(19)20/h12-14,17H,6-11H2,1-5H3,(H,22,23)/t13-,14-,17-,19+,20+/m1/s1
SMILES CC1=C(C=O)C[C@@H]2[C@@](C)(CCC(C)CC(=O)O)[C@H](C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeClausena dunniana Ref.
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