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(Q110169185)
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English
Xylarinorditerpene G
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
306.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Xylarinorditerpene H
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,5aR,6S,7S,9aR,9bR,11aR)-6,9a,11a-trimethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-6,7-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,5aR,6R,7S,9aR,9bR,11aR)-6,9a,11a-trimethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-6,7-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,5aR,6S,7R,9aR,9bR,11aR)-6,9a,11a-trimethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-6,7-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Xylarinorditerpene F
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₀O₃
0 references
canonical SMILES
OC1CCC2(C)C3C(=CCC2C1(O)C)C4OCCC4(C)CC3
0 references
isomeric SMILES
C[C@@]1(O)[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)CCO[C@H]4C3=CC[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/C19H30O3/c1-17-8-6-13-12(16(17)22-11-10-17)4-5-14-18(13,2)9-7-15(20)19(14,3)21/h4,13-16,20-21H,5-11H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-/m0/s1
0 references
InChIKey
QVZQBCOULZLZGA-AGMWBROTSA-N
0 references
PubChem CID
156580746
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVZQBCOULZLZGA-AGMWBROTSA-N
ChEBI ID
223985
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H30O3/c1-17-8-6-13-12(16(17)22-11-10-17)4-5-14-18(13,2)9-7-15(20)19(14,3)21/h4,13-16,20-21H,5-11H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-/m0/s1
Natural Product Atlas ID
NPA029241
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QVZQBCOULZLZGA-AGMWBROTSA-N
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