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CHEBI:215733 - Terreusterpene B

ChEBI IDCHEBI:215733
ChEBI NameTerreusterpene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O10
Net Charge0
Average Mass546.613
Monoisotopic Mass546.24650
SMILESCOC(=O)[C@H]1[C@@]2(C)C[C@@H]3OC(=O)[C@]4(CC[C@H](OC(C)=O)C(C)(C)[C@@H]34)C2=C[C@@]2(C)O[C@@](C)(C(=O)OC)C(=O)[C@@]12C
InChIInChI=1S/C29H38O10/c1-14(30)37-17-10-11-29-16-13-26(5)27(6,21(32)28(7,39-26)22(33)36-9)19(20(31)35-8)25(16,4)12-15(38-23(29)34)18(29)24(17,2)3/h13,15,17-19H,10-12H2,1-9H3/t15-,17-,18+,19-,25-,26+,27+,28+,29+/m0/s1
InChIKeyPTFJEMZXUZKAKS-OSUWAKPISA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30430177)
ChEBI Ontology
Outgoing Relation(s)
Terreusterpene B (CHEBI:215733) is a naphthofuran (CHEBI:39270)
IUPAC Name 
dimethyl (1S,4R,6R,8S,9S,10R,12S,13R,15S)-15-acetyloxy-4,6,8,10,14,14-hexamethyl-7,18-dioxo-5,19-dioxapentacyclo[10.5.2.01,13.02,10.04,8]nonadec-2-ene-6,9-dicarboxylate