CHEBI:208332 - (7S,11S,12S,14R)-4'-methoxyamentol

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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 (7S,11S,12S,14R)-4'-methoxyamentol
ChEBI ID CHEBI:208332
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O5
Net Charge 0
Average Mass 456.623
Monoisotopic Mass 456.28757
InChI InChI=1S/C28H40O5/c1-18(9-10-20-15-21(31-7)14-19(2)24(20)30)13-22-16-26(5)11-8-12-27(26,6)28(32-22)17-23(29)25(3,4)33-28/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23-,26+,27+,28+/m1/s1
InChIKey SQDNQGDELACKGB-QBWBGXLLSA-N
SMILES O1C(=C[C@@]2(CCC[C@@]2([C@]13OC(C)(C)[C@@H](C3)O)C)C)C/C(=C/CC4=C(O)C(=CC(=C4)OC)C)/C
Metabolite of Species Details
Cystophora (NCBI:txid39181) See: PubMed
ChEBI Ontology
Outgoing (7S,11S,12S,14R)-4'-methoxyamentol (CHEBI:208332) is a methoxybenzenes (CHEBI:51683)
(7S,11S,12S,14R)-4'-methoxyamentol (CHEBI:208332) is a phenols (CHEBI:33853)
IUPAC Name
(1S,3'R,4aS,7aS)-3-[(E)-4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methylbut-2-enyl]-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3'-ol
Manual Xref Database
10481388 ChemSpider
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