CHEBI:227458 - Isoterreulactone A

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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 Isoterreulactone A
ChEBI ID CHEBI:227458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O8
Net Charge 0
Average Mass 484.545
Monoisotopic Mass 484.20972
InChI InChI=1S/C27H32O8/c1-23(2)26(30)13-12-25(4)27(31,24(26,3)11-10-21(28)35-23)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,30-31H,10-13,15H2,1-5H3/t24-,25+,26+,27-/m0/s1
InChIKey DSOGYBQXIUXXBY-YAOOYPAMSA-N
SMILES O=C1OC([C@]2(O)CC[C@@]3([C@]([C@]2(CC1)C)(O)CC=4C(=O)OC(=CC4O3)C5=CC=C(OC)C=C5)C)(C)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Isoterreulactone A (CHEBI:227458) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(1S,2S,8S,11R)-1,8-dihydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.02,8.013,18]nonadeca-13(18),14-diene-5,17-dione
Manual Xref Database
9515623 ChemSpider
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