CHEBI:225446 - Porosuphenol B

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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 Porosuphenol B
ChEBI ID CHEBI:225446
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O6
Net Charge 0
Average Mass 458.595
Monoisotopic Mass 458.26684
InChI InChI=1S/C27H38O6/c1-15(9-16(2)21(7)29)10-17(3)26(31)20(6)27(32)18(4)11-24-22(12-19(5)28)13-23(30)14-25(24)33-8/h9-10,13-14,16,18,20-21,29-30H,11-12H2,1-8H3/b15-9+,17-10+/t16-,18+,20-,21-/m0/s1
InChIKey BGHJKGLKXACHPT-LQNJGUKQSA-N
SMILES O=C(/C(=C/C(=C/[C@@H]([C@@H](O)C)C)/C)/C)[C@@H](C(=O)[C@@H](CC1=C(OC)C=C(O)C=C1CC(=O)C)C)C
Metabolite of Species Details
Aspergillus porosus (NCBI:txid1924929) See: PubMed
ChEBI Ontology
Outgoing Porosuphenol B (CHEBI:225446) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(2R,4R,6E,8E,10S,11S)-11-hydroxy-1-[4-hydroxy-2-methoxy-6-(2-oxopropyl)phenyl]-2,4,6,8,10-pentamethyldodeca-6,8-diene-3,5-dione
Manual Xref Database
81361131 ChemSpider
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