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CHEBI:760805 - (3S,6'S,7R)‐8‐hydroxy‐6',7‐dimethyl‐6‐oxo‐1,4,6,7[tetrahydrospiro[2‐benzopyran‐3,2'‐oxan]‐7‐yl acetate

Default Structure
ChEBI IDCHEBI:760805
ChEBI Name(3S,6'S,7R)‐8‐hydroxy‐6',7‐dimethyl‐6‐oxo‐1,4,6,7[tetrahydrospiro[2‐benzopyran‐3,2'‐oxan]‐7‐yl acetate
Stars
Last Modified18 September 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCC(=O)O[C@@]1(C)C(=O)C=C2C[C@@]3(CCC[C@H](C)O3)OCC2=C1O
InChIInChI=1S/C17H22O6/c1-10-5-4-6-17(22-10)8-12-7-14(19)16(3,23-11(2)18)15(20)13(12)9-21-17/h7,10,20H,4-6,8-9H2,1-3H3/t10-,16-,17-/m0/s1
InChIKeyQQBQJKKIVDAIKQ-POJUEXTFSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,6'S,7R)‐8‐hydroxy‐6',7‐dimethyl‐6‐oxo‐1,4,6,7[tetrahydrospiro[2‐benzopyran‐3,2'‐oxan]‐7‐yl acetate (CHEBI:760805) is a acetate ester (CHEBI:47622)
(3S,6'S,7R)‐8‐hydroxy‐6',7‐dimethyl‐6‐oxo‐1,4,6,7[tetrahydrospiro[2‐benzopyran‐3,2'‐oxan]‐7‐yl acetate (CHEBI:760805) is a spiro compound (CHEBI:33599)
UniProt Name  Source
(3S,6'S,7R)‐8‐hydroxy‐6',7‐dimethyl‐6‐oxo‐1,4,6,7-tetrahydrospiro[2‐benzopyran‐3,2'‐oxan]‐7‐yl acetateUniProt
Citations