CHEBI:169927 - (1R,3R,6S,7E,10S,12R)-3,10,12-trimethyl-9,13,15-trioxo-16-oxatricyclo[12.2.1.01,6]heptadeca-4,7,14(17)-trien-17-olate

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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 (1R,3R,6S,7E,10S,12R)-3,10,12-trimethyl-9,13,15-trioxo-16-oxatricyclo[12.2.1.01,6]heptadeca-4,7,14(17)-trien-17-olate
ChEBI ID CHEBI:169927
ChEBI ASCII Name (1R,3R,6S,7E,10S,12R)-3,10,12-trimethyl-9,13,15-trioxo-16-oxatricyclo[12.2.1.0(1,6)]heptadeca-4,7,14(17)-trien-17-olate
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C19H21O5
Net Charge -1
Average Mass 329.373
Monoisotopic Mass 329.13945
InChI InChI=1S/C19H22O5/c1-10-4-5-13-6-7-14(20)11(2)8-12(3)16(21)15-17(22)19(13,9-10)24-18(15)23/h4-7,10-13,22H,8-9H2,1-3H3/p-1/b7-6+/t10-,11-,12+,13-,19+/m0/s1
InChIKey OWDPBNOVKXSRIH-RSAQLFCCSA-M
SMILES C=12C(O[C@@]3(C1[O-])[C@@H](C=C[C@@H](C3)C)C=CC([C@H](C[C@H](C2=O)C)C)=O)=O
ChEBI Ontology
Outgoing (1R,3R,6S,7E,10S,12R)-3,10,12-trimethyl-9,13,15-trioxo-16-oxatricyclo[12.2.1.01,6]heptadeca-4,7,14(17)-trien-17-olate (CHEBI:169927) is a polyketide (CHEBI:26188)
Synonym Source
(1R,3R,6S,7E,10S,12R)-17-hydroxy-3,10,12-trimethyl-16-oxatricyclo[12.2.1.01,6]heptadeca-4,7,14(17)-triene-9,13,15-trione UniProt
Citation Waiting for Citations Type Source
27140661 PubMed citation SUBMITTER