CHEBI:223715 - Territrem B

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ChEBI Name Territrem B
ChEBI ID CHEBI:223715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H34O10
Net Charge 0
Average Mass 542.581
Monoisotopic Mass 542.21520
InChI InChI=1S/C29H34O10/c1-25(2)22-12-21(30)27(14-37-22)28(25,32)8-7-26(3)29(27,33)13-16-18(39-26)11-17(38-24(16)31)15-9-19(34-4)23(36-6)20(10-15)35-5/h9-11,22,32-33H,7-8,12-14H2,1-6H3/t22?,26-,27+,28-,29-/m1/s1
InChIKey ATLGSZPVKAPATP-QNEAMCJZSA-N
SMILES O=C1OC(C2=CC(OC)=C(OC)C(=C2)OC)=CC3=C1C[C@]4(O)[C@@]56C(=O)CC(C([C@]5(O)CC[C@]4(O3)C)(C)C)OC6
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: DOI
ChEBI Ontology
Outgoing Territrem B (CHEBI:223715) is a organic heterotricyclic compound (CHEBI:26979)
Territrem B (CHEBI:223715) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,11R,14R)-2,14-dihydroxy-11,15,15-trimethyl-7-(3,4,5-trimethoxyphenyl)-6,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),7-diene-5,19-dione