input word = C00061597

Metabolite InformationStructural formula
Name Epiisoobacunoic acid
Formula C26H32O8
Mw 472.209718
CAS RN 35930-19-9
C_ID C00061597
InChIKey HEKGWBIGPAUHQK-LDOFWLLWSA-N
InChICode InChI=1S/C26H32O8/c1-22(2)15-10-16(27)25(5)14(24(15,4)17(33-22)11-18(28)29)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-15,17,19-20H,6,8,10-11H2,1-5H3,(H,28,29)/t14-,15+,17-,19+,20-,23+,24-,25+,26-/m1/s1
SMILES CC1(C)OC(CC(=O)O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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OrganismCitrus paradisi
Referencehttps://doi.org/10.1016/S0031-9422(00)98087-7