CHEBI:169355 - beta-D-Glucosyloxydestruxin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name beta-D-Glucosyloxydestruxin B
ChEBI ID CHEBI:169355
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H61N5O13
Net Charge 0
Average Mass 771.906
Monoisotopic Mass 771.42659
InChI InChI=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)
InChIKey XPPQPHQJYKEZRT-UHFFFAOYSA-N
SMILES O(C(CC1OC(=O)CCNC(=O)C(N(C(=O)C(N(C(=O)C(NC(=O)C2N(CCC2)C1=O)C(CC)C)C)C(C)C)C)C)(C)C)C3OC(C(O)C(O)C3O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0040136 HMDB
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