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CHEBI:169355 - beta-D-Glucosyloxydestruxin B

ChEBI IDCHEBI:169355
ChEBI Namebeta-D-Glucosyloxydestruxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H61N5O13
Net Charge0
Average Mass771.906
Monoisotopic Mass771.42659
SMILESCCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)OC2OC(CO)C(O)C(O)C2O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChIInChI=1S/C36H61N5O13/c1-10-19(4)25-33(50)40(9)26(18(2)3)34(51)39(8)20(5)30(47)37-14-13-24(43)52-22(32(49)41-15-11-12-21(41)31(48)38-25)16-36(6,7)54-35-29(46)28(45)27(44)23(17-42)53-35/h18-23,25-29,35,42,44-46H,10-17H2,1-9H3,(H,37,47)(H,38,48)
InChIKeyXPPQPHQJYKEZRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
beta-D-Glucosyloxydestruxin B (CHEBI:169355) is a cyclodepsipeptide (CHEBI:35213)
beta-D-Glucosyloxydestruxin B (CHEBI:169355) is a glycoside (CHEBI:24400)
IUPAC Name 
16-butan-2-yl-10,11,14-trimethyl-3-[2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
HMDB0040136HMDB