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CHEBI:197434 - 2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetate

ChEBI IDCHEBI:197434
ChEBI Name2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetate
Stars
ASCII Name2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.0(2,6).0(8,12)]pentadeca-2(6),12-dien-8-yl]acetate
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H39O8
Net Charge-1
Average Mass539.645
Monoisotopic Mass539.26504
SMILES[H][C@@]12C3=C(C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2CCCCC/C=C/C)C(=O)OC3=O
InChIInChI=1S/C31H40O8/c1-3-5-7-9-11-13-15-20-17-23-30(19-24(32)33)18-22-25(28(35)38-27(22)34)26(31(23,37)39-29(30)36)21(20)16-14-12-10-8-6-4-2/h3-6,17,20-21,26,37H,7-16,18-19H2,1-2H3,(H,32,33)/p-1/b5-3+,6-4+/t20-,21+,26+,30-,31?/m0/s1
InChIKeyVHYZFYQOJOKJHH-LAOVHBEMSA-M
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetate (CHEBI:197434) is a cyclic dicarboxylic anhydride (CHEBI:36609)
2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetate (CHEBI:197434) is a furans (CHEBI:24129)
2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetate (CHEBI:197434) is a monocarboxylic acid anion (CHEBI:35757)
UniProt Name  Source
2-[(1R,8S,14R,15R)-11-hydroxy-14,15-bis[(6E)-oct-6-en-1-yl]-3,5,9-trioxo-4,10-dioxatetracyclo[9.4.0.02,6.08,12]pentadeca-2(6),12-dien-8-yl]acetateUniProt
Citations