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CHEBI:216002 - GERI-155

ChEBI IDCHEBI:216002
ChEBI NameGERI-155
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O14
Net Charge0
Average Mass702.835
Monoisotopic Mass702.38266
SMILESCOC1CC(C)OC(O[C@@H]2[C@@H](C)/C=C\C(=O)O[C@H](C)[C@@H](COC3OC(C)C(O)C(OC)C3OC)[C@@H]3O[C@H]3CCC(=O)[C@@](C)(O)C[C@@H]2C)C1O
InChIInChI=1S/C35H58O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10,13,17-24,27-34,38-40H,11-12,14-16H2,1-9H3/b13-10-/t17-,18-,19?,20+,21?,22+,23-,24?,27?,28?,29+,30-,31?,32?,33?,34?,35-/m0/s1
InChIKeyNMCJUPSZVLSVGC-XOWACVRGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies KCTC 0041BP (ncbitaxon:201500) - PubMed (8931736)
ChEBI Ontology
Outgoing Relation(s)
GERI-155 (CHEBI:216002) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2R,3R,6Z,8S,9S,10S,12S,16S)-12-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione
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78445597ChemSpider