CHEBI:207499 - Preubetailide E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Preubetailide E
ChEBI ID CHEBI:207499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O4
Net Charge 0
Average Mass 412.570
Monoisotopic Mass 412.26136
InChI InChI=1S/C26H36O4/c1-15(8-9-24(28)30-7)10-16(2)11-23-22(14-19(5)27)17(3)12-21-13-18(4)26(29)20(6)25(21)23/h8-12,18-20,23,25,27H,13-14H2,1-7H3/b9-8+,15-10+,16-11+/t18-,19+,20+,23+,25+/m1/s1
InChIKey CJDQRZHRJWJAGG-OXEMTIHYSA-N
SMILES O=C1[C@H]([C@H]2C(=CC(C)=C([C@@H]2/C=C(/C=C(/C=C/C(=O)OC)\C)\C)C[C@@H](O)C)C[C@H]1C)C
Metabolite of Species Details
Preussia similis (NCBI:txid269685) See: PubMed
ChEBI Ontology
Outgoing Preubetailide E (CHEBI:207499) is a monoterpenoid (CHEBI:25409)
IUPAC Name
methyl (2E,4E,6E)-7-[(1R,6R,8S,8aS)-2-[(2S)-2-hydroxypropyl]-3,6,8-trimethyl-7-oxo-5,6,8,8a-tetrahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoate
Manual Xref Database
78438953 ChemSpider
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