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Armillarinin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
illudane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
464.160180948
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₉ClO₇
0 references
canonical SMILES
O=CC1=CC2(O)CC(C)(C)CC2C3(C)CC(OC(=O)C4=C(O)C=C(OC)C(Cl)=C4C)C13O
0 references
isomeric SMILES
CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C
0 references
found in taxon
Armillaria mellea
2 references
stated in
Sesquiterpene aryl esters from Armillaria tabescens
stated in
Sesquiterpene aryl esters from Armillaria mellea
Identifiers
InChI
InChI=1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1
0 references
InChIKey
XOGUZUVXPLTDMB-FUVFEPFRSA-N
0 references
CAS Registry Number
127486-63-9
1 reference
InChIKey
XOGUZUVXPLTDMB-FUVFEPFRSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=127486-63-9
PubChem CID
195527
1 reference
matched by identifier from
InChIKey
InChIKey
XOGUZUVXPLTDMB-FUVFEPFRSA-N
UniChem compound ID
62590755
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30925898
1 reference
matched by identifier from
InChIKey
InChIKey
XOGUZUVXPLTDMB-FUVFEPFRSA-N
DSSTOX compound identifier
DTXCID201354721
0 references
KNApSAcK ID
C00054382
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOGUZUVXPLTDMB-FUVFEPFRSA-N
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