CHEBI:230617 - ferutinin

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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 ferutinin
ChEBI ID CHEBI:230617
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.478
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChIKey CYSHNJQMYORNJI-YUVXSKOASA-N
SMILES O[C@@]1([C@H]2[C@](CC1)(CC=C(C[C@@H]2OC(=O)C3=CC=C(O)C=C3)C)C)C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing ferutinin (CHEBI:230617) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
Manual Xrefs Databases
27H PDBeChem
314817 ChemSpider
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