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(Q104254179)
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English
(R)-Humulone
group of stereoisomers with the chemical formula C₂₁H₃₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
alpha acid
0 references
mass
362.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₅
0 references
canonical SMILES
O=C(C1=C(O)C(=C(O)C(O)(C1=O)CC=C(C)C)CC=C(C)C)CC(C)C
0 references
found in taxon
Humulus scandens
1 reference
stated in
Determination of stilbenes in hop pellets from different cultivars
Humulus japonicus
1 reference
stated in
Determination of stilbenes in hop pellets from different cultivars
Identifiers
InChI
InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3
0 references
InChIKey
VMSLCPKYRPDHLN-UHFFFAOYSA-N
0 references
PubChem CID
549481
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VMSLCPKYRPDHLN-UHFFFAOYSA-N
ChEBI ID
175659
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3
UniChem compound ID
31564952
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201019082
1 reference
matched by identifier from
InChIKey
InChIKey
VMSLCPKYRPDHLN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0253231
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VMSLCPKYRPDHLN-UHFFFAOYSA-N
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