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

ChEBI IDCHEBI:208332
ChEBI Name(7S,11S,12S,14R)-4'-methoxyamentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESCOc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](O)C(C)(C)O3)O2)c1
InChIInChI=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
InChIKeySQDNQGDELACKGB-QBWBGXLLSA-N
Species of MetaboliteComponentSourceComments
Cystophora (ncbitaxon:39181) - PubMed (16678228)
ChEBI Ontology
Outgoing Relation(s)
(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 XrefsDatabases
10481388ChemSpider