CHEBI:216002 - GERI-155

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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 GERI-155
ChEBI ID CHEBI:216002
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58O14
Net Charge 0
Average Mass 702.835
Monoisotopic Mass 702.38266
InChI InChI=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
InChIKey NMCJUPSZVLSVGC-XOWACVRGSA-N
SMILES O=C1O[C@@H]([C@H]([C@@H]2O[C@H]2CCC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)OC3OC(CC(C3O)OC)C)C)(O)C)COC4OC(C(O)C(C4OC)OC)C)C
Metabolite of Species Details
Streptomycesspecies KCTC 0041BP (NCBI:txid201500) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78445597 ChemSpider
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