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CHEBI:204340 - Gobienine A

ChEBI IDCHEBI:204340
ChEBI NameGobienine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O14
Net Charge0
Average Mass676.797
Monoisotopic Mass676.36701
SMILESC[C@@H]1CCCCCCCCCCCCC[C@@H]2OC(=O)[C@H](C)[C@@H]2C(=O)O[C@H]2[C@H](O[C@H]3[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O
InChIInChI=1S/C33H56O14/c1-18-14-12-10-8-6-4-3-5-7-9-11-13-15-20-23(19(2)30(40)43-20)31(41)46-28-26(38)24(36)22(17-35)45-33(28)47-29-27(39)25(37)21(16-34)44-32(29)42-18/h18-29,32-39H,3-17H2,1-2H3/t18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1
InChIKeyNFJPUMMCMMCPKZ-HSOMKZNASA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1016/s0031-9422(01)00388-0)
ChEBI Ontology
Outgoing Relation(s)
Gobienine A (CHEBI:204340) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(1R,3S,5R,6S,7S,8R,11S,12R,15S,29R,31R,33R,34S,35S)-6,7,34,35-tetrahydroxy-5,33-bis(hydroxymethyl)-12,29-dimethyl-2,4,9,14,30,32-hexaoxatetracyclo[29.4.0.03,8.011,15]pentatriacontane-10,13-dione
Manual XrefsDatabases
78436163ChemSpider