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CHEBI:210194 - Neoabybetaomicin F

ChEBI IDCHEBI:210194
ChEBI NameNeoabybetaomicin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46O12S
Net Charge0
Average Mass726.841
Monoisotopic Mass726.27100
SMILESC[C@H]1CC/C(O)=C2/C(=O)O[C@]34C[C@H](C)[C@]5(C)O[C@]23[C@H](C1=O)[C@@H](S[C@H]1[C@H]2[C@H](O)[C@@]3(C)O[C@@]67/C(=C(/O)CC[C@H](C)C(=O)[C@H]16)C(=O)O[C@@]27C[C@@H]3C)[C@H]4[C@@H]5O
InChIInChI=1S/C38H46O12S/c1-13-7-9-17(39)19-31(45)47-35-11-15(3)33(5)29(43)23(35)27(21(25(13)41)37(19,35)49-33)51-28-22-26(42)14(2)8-10-18(40)20-32(46)48-36-12-16(4)34(6,30(44)24(28)36)50-38(20,22)36/h13-16,21-24,27-30,39-40,43-44H,7-12H2,1-6H3/b19-17+,20-18+/t13-,14-,15-,16-,21+,22+,23-,24-,27+,28+,29-,30-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKeyCOKOHIJJDUBFRH-PVCXGUDVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30070834)
ChEBI Ontology
Outgoing Relation(s)
Neoabybetaomicin F (CHEBI:210194) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2S,3S,4S,5R,7S,10Z,14S,16S,18R)-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]-2,10-dihydroxy-1,7,16-trimethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione
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