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CHEBI:232431 - (E,E)-epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide(1−)

Default Structure
ChEBI IDCHEBI:232431
ChEBI Name(E,E)-epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide(1−)
Stars
ASCII Name(E,E)-epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide(1-)
DefinitionMajor microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC25H33O5
Net Charge-1
Average Mass413.534
Monoisotopic Mass413.23335
SMILESCC1=C([O-])C2=C(COC2=O)[C@@](C)(C/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C1=O
InChIInChI=1S/C25H34O5/c1-15(10-11-19-24(4,5)30-19)8-7-9-16(2)12-13-25(6)18-14-29-23(28)20(18)21(26)17(3)22(25)27/h8,12,19,26H,7,9-11,13-14H2,1-6H3/p-1/b15-8+,16-12+/t19-,25+/m0/s1
InChIKeyLMEWWPPVVWLMGE-AWVRYUGRSA-M
ChEBI Ontology
Outgoing Relation(s)
(E,E)-epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide(1−) (CHEBI:232431) is a epoxide (CHEBI:32955)
(E,E)-epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide(1−) (CHEBI:232431) is a organic anionic group (CHEBI:64775)
UniProt Name  Source
(E,E)-epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalideUniProt
Manual XrefsDatabases
CPD-17325MetaCyc
Citations