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CHEBI:210253 - Tricholomalide B

ChEBI IDCHEBI:210253
ChEBI NameTricholomalide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C(CO)[C@@]1(O)C=C2C(=O)C[C@@H](C(C)C)[C@]2(C)C[C@H]2OC(=O)C[C@]21C
InChIInChI=1S/C20H28O5/c1-11(2)13-6-15(22)14-7-20(24,12(3)10-21)19(5)9-17(23)25-16(19)8-18(13,14)4/h7,11,13,16,21,24H,3,6,8-10H2,1-2,4-5H3/t13-,16+,18-,19+,20-/m0/s1
InChIKeyCMFMNGXFTLTMOH-XAYHPSFQSA-N
Species of MetaboliteComponentSourceComments
Tricholomaspecies (ncbitaxon:1745201) - PubMed (14695800)
ChEBI Ontology
Outgoing Relation(s)
Tricholomalide B (CHEBI:210253) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aR,4S,8S,8aS,9aR)-4-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-3a,8a-dimethyl-8-propan-2-yl-7,8,9,9a-tetrahydro-3H-azuleno[5,6-b]uran-2,6-dione
Manual XrefsDatabases
9648336ChemSpider