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CHEBI:200750 - Thailandolide B

ChEBI IDCHEBI:200750
ChEBI NameThailandolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O8
Net Charge0
Average Mass486.561
Monoisotopic Mass486.22537
SMILESCC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@]1(C)[C@H](C3)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2C[C@@H]1O
InChIInChI=1S/C27H34O8/c1-12-23(34-13(2)28)21-14-9-18-26(5)8-7-19(30)25(3,4)17(26)11-20(31)27(18,6)35-16(14)10-15(29)22(21)24(32)33-12/h10,12,17-18,20,23,29,31H,7-9,11H2,1-6H3/t12-,17+,18-,20+,23+,26+,27-/m1/s1
InChIKeyWBVYOHUPTWNRJD-ZLQXHUGPSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (17536857)
ChEBI Ontology
Outgoing Relation(s)
Thailandolide B (CHEBI:200750) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1R,5R,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-8,19-dioxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-trien-5-yl] acetate
Manual XrefsDatabases
64849713ChemSpider