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(Q110188170)
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English
1-acetyl-4-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthrene-3,7,10-trione
group of stereoisomers with the chemical formula C₂₄H₃₂O₅
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
400.22497412399986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₂O₅
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canonical SMILES
O=C1C2=C(C(O)CC3C(C(=O)CCC23C)(C)C)C4(C(=O)CC(C(=O)C)C4(C)C1)C
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Identifiers
InChI
InChI=1S/C24H32O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16,26H,7-11H2,1-6H3
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InChIKey
AJULRUMEMZKBQI-UHFFFAOYSA-N
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PubChem CID
14109411
1 reference
based on heuristic
inferred from InChIKey
ChEBI ID
175981
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H32O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16,26H,7-11H2,1-6H3
UniChem compound ID
31997133
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035834
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AJULRUMEMZKBQI-UHFFFAOYSA-N
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