(Q115946730)

English

TZCOLOGTIORRHN-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₄₈H₇₂O₂₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,000.451523944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₇₂O₂₂

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canonical SMILES

O=C(O)C1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)OC8OC(CO)C(O)C(O)C8O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)CO)C(=O)O)C(O)C(O)C1O

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found in taxon

liquorice

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stated in

Biosynthesis-Based Quantitative Analysis of 151 Secondary Metabolites of Licorice To Differentiate Medicinal Glycyrrhiza Species and Their Hybrids.

Glycyrrhiza inflata

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stated in

Biosynthesis-Based Quantitative Analysis of 151 Secondary Metabolites of Licorice To Differentiate Medicinal Glycyrrhiza Species and Their Hybrids.

Glycyrrhiza uralensis

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stated in

Biosynthesis-Based Quantitative Analysis of 151 Secondary Metabolites of Licorice To Differentiate Medicinal Glycyrrhiza Species and Their Hybrids.

Identifiers

InChI

InChI=1S/C48H72O22/c1-43-11-12-44(2,42(64)70-39-31(58)26(53)25(52)22(17-49)65-39)16-20(43)19-15-21(51)36-45(3)9-8-24(46(4,18-50)23(45)7-10-48(36,6)47(19,5)14-13-43)66-41-35(30(57)29(56)34(68-41)38(62)63)69-40-32(59)27(54)28(55)33(67-40)37(60)61/h15,20,22-36,39-41,49-50,52-59H,7-14,16-18H2,1-6H3,(H,60,61)(H,62,63)

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InChIKey

TZCOLOGTIORRHN-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

TZCOLOGTIORRHN-UHFFFAOYSA-N

1 reference

(Q115946730)

TZCOLOGTIORRHN-UHFFFAOYSA-N

Statements

Identifiers

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