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CHEBI:211009 - Trichobisabolin I

ChEBI IDCHEBI:211009
ChEBI NameTrichobisabolin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O3
Net Charge0
Average Mass240.343
Monoisotopic Mass240.17254
SMILESCC1=C[C@H]2O[C@@H](C[C@H](C)O)C[C@H](C)[C@H]2C[C@@H]1O
InChIInChI=1S/C14H24O3/c1-8-4-11(6-10(3)15)17-14-5-9(2)13(16)7-12(8)14/h5,8,10-16H,4,6-7H2,1-3H3/t8-,10-,11+,12+,13-,14+/m0/s1
InChIKeyLFSDIJOJOMGZFF-ARHAKPMWSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (31048011)
ChEBI Ontology
Outgoing Relation(s)
Trichobisabolin I (CHEBI:211009) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2R,4S,4aR,6S,8aS)-2-[(2S)-2-hydroxypropyl]-4,7-dimethyl-3,4,4a,5,6,8a-hexahydro-2H-chromen-6-ol
Manual XrefsDatabases
73950459ChemSpider