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CHEBI:224155 - Cochliobolin D

ChEBI IDCHEBI:224155
ChEBI NameCochliobolin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESCC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C(C)C)CC[C@]1(C)[C@H]2CO
InChIInChI=1S/C21H36O7/c1-10(2)12-5-6-21(4)11(3)13(16(12)14(21)7-22)9-27-20-19(26)18(25)17(24)15(8-23)28-20/h10,12,14-20,22-26H,5-9H2,1-4H3/t12-,14+,15-,16-,17-,18+,19-,20-,21+/m1/s1
InChIKeyPSJAVTJDHQLIBF-WYAZQVSJSA-N
Species of MetaboliteComponentSourceComments
Bipolaris sorokiniana (ncbitaxon:45130) - PubMed (32302133)
ChEBI Ontology
Outgoing Relation(s)
Cochliobolin D (CHEBI:224155) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4R,5S,8S)-8-(hydroxymethyl)-1,7-dimethyl-4-propan-2-yl-6-bicyclo[3.2.1]oct-6-enyl]methoxy]oxane-3,4,5-triol