CHEBI:170126 - Neogrifolin

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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 Neogrifolin
ChEBI ID CHEBI:170126
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O2
Net Charge 0
Average Mass 328.496
Monoisotopic Mass 328.24023
InChI InChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
InChIKey JWDIUXFSIWOGDP-VZRGJMDUSA-N
SMILES OC1=C(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)C(=CC(O)=C1)C
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Albatrellusspecies (NCBI:txid1967570) See: DOI
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Neogrifolin (CHEBI:170126) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names
5-methyl-4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
Manual Xrefs Databases
57545062 ChemSpider
8050115 ChemSpider
HMDB0030053 HMDB
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