(Q104166534)

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-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxybutanoic acid

group of stereoisomers with the chemical formula C₄₉H₆₂O₁₈

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instance of

group of stereoisomers

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subclass of

biogenic anthraquinones

1 reference

inferred from

biogenic anthraquinones

mass

938.3936151440006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₉H₆₂O₁₈

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canonical SMILES

O=C(O)CC(OC1OC(C)C(OC2OC(C(=O)CC2)C)CC1)(C)CC3=CC=C4C(=O)C5=C(O)C(=CC=C5C(=O)C4=C3O)C6OC(C)C(OC7OC(C)C(OC8OC(C(=O)CC8)C)CC7)C(O)C6

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Identifiers

InChI

InChI=1S/C49H62O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-10,22-26,33-36,38-41,48,52,55-56H,11-21H2,1-6H3,(H,53,54)

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InChIKey

FMPNXDMJKBQLJR-UHFFFAOYSA-N

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PubChem CID

76513691

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FMPNXDMJKBQLJR-UHFFFAOYSA-N

(Q104166534)

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-methyl-3-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxybutanoic acid

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