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CHEBI:227741 - Terreustoxin B

ChEBI IDCHEBI:227741
ChEBI NameTerreustoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O8
Net Charge0
Average Mass476.566
Monoisotopic Mass476.24102
SMILESC=C1C[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3[C@@H](O)[C@@H](O)[C@]2(C)[C@@H]2C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]12C
InChIInChI=1S/C26H36O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,15-18,28-29H,1,9-11H2,2-8H3/t13-,15+,16+,17+,18+,23-,24+,25-,26-/m0/s1
InChIKeyGVJWSIBVKQDNPN-ITBXVHDFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (31158603)
ChEBI Ontology
Outgoing Relation(s)
Terreustoxin B (CHEBI:227741) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (2S,4aS,4bS,5S,6R,6aS,10aS,10bS,12aS)-5,6-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate