input word = C00054394

Metabolite InformationStructural formula
Name Deacetylnomilin
Formula C26H32O8
Mw 472.209718
CAS RN 3264-90-2
C_ID C00054394
InChIKey HWAJASVMTDEFJN-NEFLTLJKSA-N
InChICode InChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14-,15+,16+,19+,20-,23+,24-,25+,26-/m1/s1
SMILES CC1([C@]([C@@]([C@@]([C@@]23C)([H])CC[C@@]([C@](O4)([H])C5=COC=C5)([C@]36[C@@](O6)([H])C4=O)C)([C@@H](O)CC(O1)=O)C)([H])CC2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus ichangensis Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeRutaceaeMicrocitrus australasica Ref.
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OrganismCitrus ichangensis
ReferenceM. A. Berhow et al., Chem. Abs., (1994), 121, 153358.