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(Q110169181)
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English
Xylarinorditerpene C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
290.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aS,5aS,6R,9aS,9bR,11aR)-9a,11a-dimethyl-1,2,3a,5,5a,6,7,8,9,9b,10,11-dodecahydronaphtho[1,2-g][1]benzofuran-6-yl]methanol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₀O₂
0 references
canonical SMILES
OCC1CCCC2(C)C3C(=CCC12)C4OCCC4(C)CC3
0 references
isomeric SMILES
C[C@]12CCC[C@@H](CO)[C@@H]1CC=C1[C@@H]2CC[C@]2(C)CCO[C@@H]12
0 references
found in taxon
Xylaria longipes
1 reference
stated in
Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus Xylaria longipes HFG1018
Identifiers
InChI
InChI=1S/C19H30O2/c1-18-9-7-16-14(17(18)21-11-10-18)5-6-15-13(12-20)4-3-8-19(15,16)2/h5,13,15-17,20H,3-4,6-12H2,1-2H3/t13-,15-,16-,17-,18+,19-/m0/s1
0 references
InChIKey
LADQDFYODAXMCF-ZKFKSPHGSA-N
0 references
PubChem CID
156580742
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LADQDFYODAXMCF-ZKFKSPHGSA-N
ChEBI ID
223966
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H30O2/c1-18-9-7-16-14(17(18)21-11-10-18)5-6-15-13(12-20)4-3-8-19(15,16)2/h5,13,15-17,20H,3-4,6-12H2,1-2H3/t13-,15-,16-,17-,18+,19-/m0/s1
Natural Product Atlas ID
NPA029237
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LADQDFYODAXMCF-ZKFKSPHGSA-N
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