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(Q74417848)
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English
2-hydroxy-3-O-methyl estrone
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
aromatic ether
0 references
mass
300.17254462799997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
2-Hydroxy-3-methoxyestrone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₃
0 references
canonical SMILES
COc1cc2c(cc1O)C1CCC3(C)C(=O)CCC3C1CC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)OC
0 references
Identifiers
InChI
InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
0 references
InChIKey
YBCPNMOFBUWYTP-QPWUGHHJSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
13831793
1 reference
matched by identifier from
InChIKey
InChIKey
YBCPNMOFBUWYTP-QPWUGHHJSA-N
ChEBI ID
136980
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
SureChEMBL ID
SCHEMBL929291
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YBCPNMOFBUWYTP-QPWUGHHJSA-N
UniChem compound ID
25110377
1 reference
stated in
UniChem
SwissLipids ID
SLM:000597819
1 reference
matched by identifier from
InChIKey
InChIKey
YBCPNMOFBUWYTP-QPWUGHHJSA-N
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