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(Q105157031)
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English
Cattienoid D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-{13-acetyl-10,14-dimethyl-4-oxatetracyclo[7.7.0.0²,⁶.0¹⁰,¹⁴]hexadeca-1(16),8-dien-2-yl}propanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
358.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₄
0 references
canonical SMILES
O=C(O)CCC12C3=CCC4(C)C(C(=O)C)CCC4(C3=CCC2COC1)C
0 references
isomeric SMILES
CC(=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4COC[C@@]4(CCC(=O)O)C3=CC[C@]12C
0 references
found in taxon
Tomophagus
1 reference
stated in
Highly Modified Lanostane Triterpenes from Fruiting Bodies of the Basidiomycete Tomophagus sp
Identifiers
InChI
InChI=1S/C22H30O4/c1-14(23)16-6-9-21(3)17-5-4-15-12-26-13-22(15,11-8-19(24)25)18(17)7-10-20(16,21)2/h5,7,15-16H,4,6,8-13H2,1-3H3,(H,24,25)/t15-,16+,20+,21-,22+/m0/s1
0 references
InChIKey
LTMONJJANNHFRQ-OWGSYBQFSA-N
0 references
PubChem CID
145720882
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LTMONJJANNHFRQ-OWGSYBQFSA-N
ChEBI ID
223585
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O4/c1-14(23)16-6-9-21(3)17-5-4-15-12-26-13-22(15,11-8-19(24)25)18(17)7-10-20(16,21)2/h5,7,15-16H,4,6,8-13H2,1-3H3,(H,24,25)/t15-,16+,20+,21-,22+/m0/s1
UniChem compound ID
176966962
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA025110
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LTMONJJANNHFRQ-OWGSYBQFSA-N
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