(Q74410901)

English

tuberonate

anion

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No label defined

No description defined

Statements

type of chemical entity

0 references

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monocarboxylic acid anion

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225.11323260391 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

12-hydroxyjasmonate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₇O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C([O-])CC1CCC(=O)C1CC=CCCO

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CC(=O)[C@H]([C@H]1CC(=O)[O-])C/C=C\CCO

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Identifiers

InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/p-1/b2-1-/t9-,10+/m1/s1

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RZGFUGXQKMEMOO-SZXTZRQCSA-M

2 references

ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

RZGFUGXQKMEMOO-SZXTZRQCSA-M

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/p-1/b2-1-/t9-,10+/m1/s1

UniChem compound ID

1 reference

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