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English
Armillane
group of stereoisomers with the chemical formula C₂₃H₃₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
420.214803364
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₂O₇
0 references
canonical SMILES
O=C(OC1CC2(C)C3CC(C)(C)CC3C(O)C(CO)C12O)C=4C=C(C(O)=CC4O)C
0 references
found in taxon
Armillaria mellea
2 references
stated in
Sesquiterpene aryl esters from Armillaria mellea
stated in
Armillane, a saturated sesquiterpene ester from Armillaria mellea
Armillaria tabescens
1 reference
stated in
Sesquiterpene aryl esters from Armillaria tabescens
Desarmillaria tabescens
1 reference
stated in
Sesquiterpene aryl esters from Armillaria tabescens
Identifiers
InChI
InChI=1S/C23H32O7/c1-11-5-12(17(26)6-16(11)25)20(28)30-18-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(18,22)29/h5-6,13-15,18-19,24-27,29H,7-10H2,1-4H3
0 references
InChIKey
XAJFXYLALLZDAD-UHFFFAOYSA-N
0 references
PubChem CID
131751864
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
169249
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H32O7/c1-11-5-12(17(26)6-16(11)25)20(28)30-18-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(18,22)29/h5-6,13-15,18-19,24-27,29H,7-10H2,1-4H3
UniChem compound ID
32004824
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035779
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XAJFXYLALLZDAD-UHFFFAOYSA-N
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