CHEBI:207155 - Abybetaomicin Q

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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 Abybetaomicin Q
ChEBI ID CHEBI:207155
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O8
Net Charge 0
Average Mass 394.420
Monoisotopic Mass 394.16277
InChI InChI=1S/C20H26O8/c1-7-5-17(3,26)14(23)10-13(22)9-15(24)18(4)8(2)6-19(9)20(10,28-18)11(12(7)21)16(25)27-19/h7-10,13,15,21-22,24,26H,5-6H2,1-4H3/t7-,8-,9-,10-,13-,15-,17-,18-,19-,20+/m0/s1
InChIKey MVFRGMBYWIQNOX-KAADVHEXSA-N
SMILES O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@]34[C@H]1[C@@H](O)[C@H]5[C@H](O)[C@@](O3)([C@@H](C)C[C@@]45OC2=O)C)C)C
Metabolite of Species Details
Streptomycesspecies LC-6-2 (NCBI:txid1676287) See: PubMed
ChEBI Ontology
Outgoing Abybetaomicin Q (CHEBI:207155) is a furopyran (CHEBI:74927)
IUPAC Name
(1S,2S,3S,4S,5R,7S,9S,14S,16S,18R)-2,4,7,10-tetrahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione