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CHEBI:221025 - Bionectriol B

ChEBI IDCHEBI:221025
ChEBI NameBionectriol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H58O10
Net Charge0
Average Mass602.806
Monoisotopic Mass602.40300
SMILESCCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)/C=C(\C)C(O)C(C)/C=C(\C)C(O)C(C)C(=O)O
InChIInChI=1S/C32H58O10/c1-10-16(2)11-17(3)12-21(7)30(42-32-29(38)28(37)27(36)24(15-33)41-32)22(8)14-19(5)25(34)18(4)13-20(6)26(35)23(9)31(39)40/h13-14,16-18,21-30,32-38H,10-12,15H2,1-9H3,(H,39,40)/b19-14+,20-13+/t16?,17?,18?,21?,22?,23?,24-,25?,26?,27-,28+,29+,30?,32+/m1/s1
InChIKeyDFKXOXPJORCGPM-MGTAOIEESA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea (ncbitaxon:29856) - PubMed (25302529)
ChEBI Ontology
Outgoing Relation(s)
Bionectriol B (CHEBI:221025) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(4E,8E)-3,7-dihydroxy-2,4,6,8,10,12,14,16-octamethyl-11-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dienoic acid
Manual XrefsDatabases
78445529ChemSpider