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CHEBI:215726 - Terreusterpene A

ChEBI IDCHEBI:215726
ChEBI NameTerreusterpene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O9
Net Charge0
Average Mass506.592
Monoisotopic Mass506.25158
SMILESCOC(=O)[C@@H]1[C@@]2(C)[C@H](O)C(=O)[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2C[C@@]2(C)O[C@](C)(C(=O)OC)C(=O)[C@@]12C
InChIInChI=1S/C27H38O9/c1-22(2)14(28)10-11-23(3)13-12-24(4)26(6,20(32)27(7,36-24)21(33)35-9)17(19(31)34-8)25(13,5)18(30)15(29)16(22)23/h13,16-18,30H,10-12H2,1-9H3/t13-,16+,17+,18+,23-,24+,25-,26+,27-/m0/s1
InChIKeyNTVNGZBHDKMMHU-FQMPNGJUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (30430177)
ChEBI Ontology
Outgoing Relation(s)
Terreusterpene A (CHEBI:215726) is a oxo steroid (CHEBI:35789)
IUPAC Name 
dimethyl (4aS,6S,6aS,7R,7aS,9S,10aR,11aS,11bS)-6-hydroxy-4,4,6a,7a,9,10a,11b-heptamethyl-3,5,8-trioxo-2,4a,6,7,11,11a-hexahydro-1H-naphtho[2,1-][1]benzouran-7,9-dicarboxylate