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CHEBI:223715 - Territrem B

ChEBI IDCHEBI:223715
ChEBI NameTerritrem B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O10
Net Charge0
Average Mass542.581
Monoisotopic Mass542.21520
SMILESCOc1cc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]45COC(CC4=O)C(C)(C)[C@]5(O)CC[C@@]2(C)O3)cc(OC)c1OC
InChIInChI=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
InChIKeyATLGSZPVKAPATP-QNEAMCJZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.3109/15569549409089963)
ChEBI Ontology
Outgoing Relation(s)
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