CHEBI:203774 - Prugosene C1

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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 Prugosene C1
ChEBI ID CHEBI:203774
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O3
Net Charge 0
Average Mass 408.582
Monoisotopic Mass 408.26645
InChI InChI=1S/C27H36O3/c1-19(25-21(3)18-27(7,29)23(5)30-25)15-13-11-9-8-10-12-14-16-26(6)17-20(2)24(28)22(26)4/h8-18,22-23,25,29H,1-7H3/b9-8+,12-10+,13-11+,16-14+,19-15+/t22-,23+,25-,26+,27+/m0/s1
InChIKey AWKOIWWVZPOTLM-UQSVYCHCSA-N
SMILES O=C1C(=C[C@]([C@H]1C)(/C=C/C=C/C=C/C=C/C=C(/[C@@H]2O[C@@H]([C@@](O)(C)C=C2C)C)\C)C)C
Metabolite of Species Details
Talaromyces rugulosus (NCBI:txid121627) See: DOI
ChEBI Ontology
Outgoing Prugosene C1 (CHEBI:203774) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(4R,5R)-4-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaenyl]-2,4,5-trimethylcyclopent-2-en-1-one
Manual Xref Database
23076719 ChemSpider
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