CHEBI:200837 - Prugosene C2

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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 C2
ChEBI ID CHEBI:200837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O4
Net Charge 0
Average Mass 424.581
Monoisotopic Mass 424.26136
InChI InChI=1S/C27H36O4/c1-19(25-20(2)16-27(6,30)22(4)31-25)14-12-10-8-7-9-11-13-15-26(5)17-23(18-28)24(29)21(26)3/h7-17,21-22,25,28,30H,18H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,19-14+/t21-,22+,25-,26+,27+/m0/s1
InChIKey YPELKNYMLKTHOB-CZJGSTMKSA-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)CO
Metabolite of Species Details
Talaromyces rugulosus (NCBI:txid121627) See: DOI
ChEBI Ontology
Outgoing Prugosene C2 (CHEBI:200837) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(4R,5R)-2-(hydroxymethyl)-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]-4,5-dimethylcyclopent-2-en-1-one
Manual Xref Database
23076720 ChemSpider
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