(Q105002120)

English

4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

group of stereoisomers with the chemical formula C₁₉H₂₈O₉

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Statements

group of stereoisomers

0 references

1 reference

400.1733324759999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₈O₉

0 references

canonical SMILES

O=C(C=CC1(O)C(=CC(=O)CC1(C)C)C)COC2OC(CO)C(O)C(O)C2O

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isomeric SMILES

CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(=O)COC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+

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FUXBESIRIBMOMU-SNAWJCMRSA-N

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1 reference

matched by identifier from

FUXBESIRIBMOMU-SNAWJCMRSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3/b5-4+

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FUXBESIRIBMOMU-SNAWJCMRSA-N

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