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(Q115965998)
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English
7,12-Dihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
group of stereoisomers with the chemical formula C₂₇H₄₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
416.329045268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₄O₃
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canonical SMILES
O=C1C=C2CC(O)C3C4CCC(C(C)CCCC(C)C)C4(C)C(O)CC3C2(C)CC1
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found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3
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InChIKey
UQPYXHJTHPHOMM-UHFFFAOYSA-N
0 references
PubChem CID
5118592
1 reference
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
66238340
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0247407
1 reference
based on heuristic
inferred from InChIKey
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