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CHEBI:200500 - Gobienine B

ChEBI IDCHEBI:200500
ChEBI NameGobienine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O13
Net Charge0
Average Mass660.798
Monoisotopic Mass660.37209
SMILESC[C@@H]1O[C@H]2O[C@H]3[C@H](O[C@@H](C)CCCCCCCCCCCCC[C@@H]4OC(=O)[C@H](C)[C@H]4C(=O)O[C@@H]2[C@H](O)[C@H]1O)O[C@H](CO)[C@@H](O)[C@@H]3O
InChIInChI=1S/C33H56O13/c1-18-15-13-11-9-7-5-4-6-8-10-12-14-16-21-23(19(2)30(39)43-21)31(40)45-28-26(37)24(35)20(3)42-33(28)46-29-27(38)25(36)22(17-34)44-32(29)41-18/h18-29,32-38H,4-17H2,1-3H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-,28+,29+,32+,33-/m0/s1
InChIKeySFUQOJLEXBXXJQ-LNXSZWLCSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - DOI (10.1016/s0031-9422(01)00388-0)
ChEBI Ontology
Outgoing Relation(s)
Gobienine B (CHEBI:200500) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,5S,6R,7R,8R,11R,12R,15S,29S,31R,33R,34S,35S)-6,7,34,35-tetrahydroxy-33-(hydroxymethyl)-5,12,29-trimethyl-2,4,9,14,30,32-hexaoxatetracyclo[29.4.0.03,8.011,15]pentatriacontane-10,13-dione
Manual XrefsDatabases
78436151ChemSpider