(Q105109802)

English

1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoyl]-D-glucopyranose

group of stereoisomers with the chemical formula C₂₁H₃₀O₉

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Statements

instance of

group of stereoisomers

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1 reference

426.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₉

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C=C(C=CC2(O)C(=CC(=O)CC2(C)C)C)C

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isomeric SMILES

CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C/C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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Identifiers

InChI

InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19?,21?/m1/s1

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InChIKey

HLVPIMVSSMJFPS-JGYDSPBFSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HLVPIMVSSMJFPS-JGYDSPBFSA-N

ChEBI ID

133910

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7+/t14-,16-,17+,18-,19?,21?/m1/s1

1 reference

(Q105109802)

1-O-[(2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoyl]-D-glucopyranose

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