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(Q104202734)
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English
4,8-Dihydroxy-5,5,7,9,11-pentamethyl-18-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione
group of stereoisomers with the chemical formula C₂₉H₄₅NO₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
thiazole alkaloid
1 reference
inferred from
thiazole alkaloid
macrolides
1 reference
inferred from
macrolides
mass
519.3018445399999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₄₅NO₅S
0 references
canonical SMILES
O=C1OC(C(=CC=2N=C(SC2)C)C)CC=CCCCC(C)CC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C
0 references
found in taxon
Sorangium
1 reference
stated in
New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies
Identifiers
InChI
InChI=1S/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3
0 references
InChIKey
ZRXGTLZTTTXSFQ-UHFFFAOYSA-N
0 references
PubChem CID
85407320
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZRXGTLZTTTXSFQ-UHFFFAOYSA-N
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