CHEBI:217246 - Territrem D

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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 Territrem D
ChEBI ID CHEBI:217246
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O9
Net Charge 0
Average Mass 512.555
Monoisotopic Mass 512.20463
InChI InChI=1S/C28H32O9/c1-24(2)8-7-21(30)26(4)27(24,32)10-9-25(3)28(26,33)14-16-19(37-25)13-18(36-23(16)31)15-11-17(29)22(35-6)20(12-15)34-5/h7-8,11-13,29,32-33H,9-10,14H2,1-6H3/t25-,26+,27-,28-/m1/s1
InChIKey URGMJTWQYIQDDO-JUDWXZBOSA-N
SMILES O=C1OC(C2=CC(OC)=C(OC)C(=C2)O)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=CC([C@]5(O)CC[C@]4(O3)C)(C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Territrem D (CHEBI:217246) is a organic heterotricyclic compound (CHEBI:26979)
Territrem D (CHEBI:217246) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,7R,10R)-1,7-dihydroxy-14-(3-hydroxy-4,5-dimethoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione
Manual Xref Database
34981403 ChemSpider
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