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(Q105192909)
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English
Dihydronitenin
group of stereoisomers with the chemical formula C₂₁H₂₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
phytane diterpenoid
1 reference
inferred from
phytane diterpenoid
mass
342.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₄
0 references
canonical SMILES
O=C1OC(C=C(C)CCCC2=COC=C2)CC1CCCC3=COC=C3
0 references
isomeric SMILES
C/C(=C\[C@H]1CC(CCCc2ccoc2)C(=O)O1)CCCc1ccoc1
0 references
found in taxon
Spongia officinalis
1 reference
stated in
Isonitenin and Acetylhomoagmatine new Metabolites from the SpongesSpongia OfficinalisandCliona celatacollected at the Galician Coast (NW Spain)
Identifiers
InChI
InChI=1S/C21H26O4/c1-16(4-2-5-17-8-10-23-14-17)12-20-13-19(21(22)25-20)7-3-6-18-9-11-24-15-18/h8-12,14-15,19-20H,2-7,13H2,1H3/b16-12+/t19?,20-/m0/s1
0 references
InChIKey
OIYBDVCLZOMQSJ-OWVKRJDGSA-N
0 references
PubChem CID
15558987
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OIYBDVCLZOMQSJ-OWVKRJDGSA-N
UniChem compound ID
56150186
1 reference
stated in
UniChem
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