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(Q103816499)
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English
4-[1,5-Dihydroxy-6-[4-hydroxy-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
group of stereoisomers with the chemical formula C₃₇H₄₄O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic anthraquinones
1 reference
inferred from
biogenic anthraquinones
mass
712.2731060880002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₄₄O₁₄
0 references
canonical SMILES
O=C(O)CC(O)(C)CC1=CC=C2C(=O)C3=C(O)C(=CC=C3C(=O)C2=C1O)C4OC(C)C(OC5OC(C)C(OC6OC(C(=O)CC6)C)CC5)C(O)C4
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Identifiers
InChI
InChI=1S/C37H44O14/c1-16-23(38)9-11-28(48-16)50-25-10-12-29(49-17(25)2)51-36-18(3)47-26(13-24(36)39)20-7-8-22-31(33(20)43)35(45)21-6-5-19(32(42)30(21)34(22)44)14-37(4,46)15-27(40)41/h5-8,16-18,24-26,28-29,36,39,42-43,46H,9-15H2,1-4H3,(H,40,41)
0 references
InChIKey
AWLGEFWKPFTPQO-UHFFFAOYSA-N
0 references
PubChem CID
76513692
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AWLGEFWKPFTPQO-UHFFFAOYSA-N
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