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(Q108730720)
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English
(4aR,6S,12bS)-4a,6,8,12b-tetrahydroxy-3-methyl-5,6-dihydro-4H-benzo[a]anthracene-1,7,12-trione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
benzo[a]anthracene polyketide
1 reference
based on heuristic
inferred from SMILES
mass
356.089602852
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
gaudimycin B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₁₆O₇
0 references
canonical SMILES
CC1=CC(=O)C2(O)C3=C(C(=O)c4c(O)cccc4C3=O)C(O)CC2(O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1C2=C([C@@H](O)C[C@](O)(CC(C)=C3)[C@]2(O)C3=O)C(C4=C(O)C=CC=C41)=O
0 references
Identifiers
InChI
InChI=1S/C19H16O7/c1-8-5-12(22)19(26)15-14(11(21)7-18(19,25)6-8)17(24)13-9(16(15)23)3-2-4-10(13)20/h2-5,11,20-21,25-26H,6-7H2,1H3/t11-,18+,19-/m0/s1
0 references
InChIKey
XKRMMVFULPCHPV-SYURPWHHSA-N
0 references
PubChem CID
102205948
1 reference
matched by identifier from
InChIKey
InChIKey
XKRMMVFULPCHPV-SYURPWHHSA-N
UniChem compound ID
97903711
1 reference
stated in
UniChem
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