CHEBI:226494 - Terreulactone B

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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 Terreulactone B
ChEBI ID CHEBI:226494
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C27H30O7
Net Charge 0
Average Mass 466.530
Monoisotopic Mass 466.19915
InChI InChI=1S/C27H30O7/c1-23(2)21(28)10-11-24(3)26(23,30)13-12-25(4)27(24,31)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-11,14,30-31H,12-13,15H2,1-5H3/t24-,25+,26+,27-/m0/s1
InChIKey XRDDKPLRULFDQK-YAOOYPAMSA-N
SMILES O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@]4(O)[C@]5(C=CC(=O)C([C@]5(O)CC[C@]4(O3)C)(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Terreulactone B (CHEBI:226494) is a organic heterotricyclic compound (CHEBI:26979)
Terreulactone B (CHEBI:226494) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,7S,10R)-1,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-3,12(17),13-triene-5,16-dione
Manual Xref Database
8497758 ChemSpider
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