(Q104197137)

English

2,4-Dimethyl-5-[7-[2-methyl-6-(2,3,5,8-tetrahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl)oxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid

group of stereoisomers with the chemical formula C₃₈H₃₈O₁₄

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instance of

group of stereoisomers

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subclass of

benzo[a]anthracene polyketide

1 reference

inferred from

benzo[a]anthracene polyketide

mass

718.2261558960003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₃₈O₁₄

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canonical SMILES

O=C(OC1CCC(OC1C)C2=CC=C3C(=O)C=4C(=CC(O)=C5C4C(=O)C(O)C(O)(C)C5)C(=O)C3=C2O)C=CC=CC=CC6OC(OC6C)(C(=O)O)C

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Identifiers

InChI

InChI=1S/C38H38O14/c1-17-24(50-27(40)10-8-6-5-7-9-25-18(2)51-38(4,52-25)36(46)47)13-14-26(49-17)19-11-12-20-30(31(19)41)33(43)21-15-23(39)22-16-37(3,48)35(45)34(44)29(22)28(21)32(20)42/h5-12,15,17-18,24-26,35,39,41,45,48H,13-14,16H2,1-4H3,(H,46,47)

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InChIKey

SBGGQXGOQWLPLU-UHFFFAOYSA-N

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PubChem CID

78147580

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SBGGQXGOQWLPLU-UHFFFAOYSA-N

(Q104197137)

2,4-Dimethyl-5-[7-[2-methyl-6-(2,3,5,8-tetrahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl)oxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid

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