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(Q110169169)
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English
Xylarinorditerpene J
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
292.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Xylarinorditerpene I
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₂O₂
0 references
canonical SMILES
OCCC1(C)CC2=CCC3C(O)(C)CCCC3(C)C2CC1
0 references
isomeric SMILES
C[C@]1(CCO)CC[C@H]2C(=CC[C@H]3[C@@](C)(O)CCC[C@]23C)C1
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/C19H32O2/c1-17(11-12-20)10-7-15-14(13-17)5-6-16-18(15,2)8-4-9-19(16,3)21/h5,15-16,20-21H,4,6-13H2,1-3H3/t15-,16+,17+,18+,19-/m0/s1
0 references
InChIKey
HCINTOUWEBPUIJ-VHPHOLNESA-N
0 references
PubChem CID
156019618
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
223910
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H32O2/c1-17(11-12-20)10-7-15-14(13-17)5-6-16-18(15,2)8-4-9-19(16,3)21/h5,15-16,20-21H,4,6-13H2,1-3H3/t15-,16+,17+,18+,19-/m0/s1
UniChem compound ID
187498949
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA029226
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HCINTOUWEBPUIJ-VHPHOLNESA-N
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