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CHEBI:210200 - Neoabybetaomicin G

ChEBI IDCHEBI:210200
ChEBI NameNeoabybetaomicin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46O12S
Net Charge0
Average Mass726.841
Monoisotopic Mass726.27100
SMILESC[C@H]1CCC(=O)C2=C3O[C@@]4(C)[C@@H](C)C[C@]3(OC2=O)[C@@H]([C@H](S[C@H]2[C@H]3[C@H](O)[C@@]5(C)O[C@@]67/C(=C(/O)CC[C@H](C)C(=O)[C@H]26)C(=O)O[C@@]37C[C@@H]5C)CC1=O)[C@@H]4O
InChIInChI=1S/C38H46O12S/c1-14-7-9-18(39)22-31-36(48-32(22)45)12-16(3)34(5,47-31)29(43)24(36)21(11-20(14)41)51-28-25-27(42)15(2)8-10-19(40)23-33(46)49-37-13-17(4)35(6,30(44)26(28)37)50-38(23,25)37/h14-17,21,24-26,28-30,40,43-44H,7-13H2,1-6H3/b23-19+/t14-,15-,16-,17-,21+,24-,25+,26-,28+,29-,30-,34-,35-,36-,37-,38-/m0/s1
InChIKeyBLRWQXKFGMPIAD-AWVMFUIHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30070834)
ChEBI Ontology
Outgoing Relation(s)
Neoabybetaomicin G (CHEBI:210200) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2S,3S,4R,7S,14S,16S)-4-[[(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-2,10-dihydroxy-1,7,16-trimethyl-6,12-dioxo-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-en-4-yl]sulanyl]-2-hydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione
Manual XrefsDatabases
71048522ChemSpider