(Q104980201)

English

2-[8,14,18,19-Tetrahydroxy-7-(hydroxymethyl)-2,11,15-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,10,16-tetraoxatetracyclo[11.7.1.04,9.017,21]henicosa-1(20),17(21),18-trien-12-yl]acetic acid

group of stereoisomers with the chemical formula C₂₇H₂₄O₁₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

652.0911785479999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₄O₁₉

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canonical SMILES

O=C(O)CC1C(=O)OC2C(O)C(OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C4=CC(O)=C(O)C=5OC(=O)C(O)C1C54)CO

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Identifiers

InChI

InChI=1S/C27H24O19/c28-5-12-18(36)21-22(27(42-12)46-23(38)6-1-9(29)16(34)10(30)2-6)45-24(39)7-3-11(31)17(35)20-15(7)14(19(37)26(41)43-20)8(4-13(32)33)25(40)44-21/h1-3,8,12,14,18-19,21-22,27-31,34-37H,4-5H2,(H,32,33)

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InChIKey

DHIUETZAWAZMBO-UHFFFAOYSA-N

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PubChem CID

162995825

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DHIUETZAWAZMBO-UHFFFAOYSA-N

(Q104980201)

2-[8,14,18,19-Tetrahydroxy-7-(hydroxymethyl)-2,11,15-trioxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,10,16-tetraoxatetracyclo[11.7.1.04,9.017,21]henicosa-1(20),17(21),18-trien-12-yl]acetic acid

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