CHEBI:207169 - Abybetaomicin S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 S
ChEBI ID CHEBI:207169
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O9
Net Charge 0
Average Mass 410.419
Monoisotopic Mass 410.15768
InChI InChI=1S/C20H26O9/c1-7-5-16(2,26)13(23)9-12(22)8-14(24)18(4)17(3,27)6-19(8)20(9,29-18)10(11(7)21)15(25)28-19/h7-9,12,14,21-22,24,26-27H,5-6H2,1-4H3/t7-,8-,9-,12-,14-,16-,17+,18+,19-,20+/m0/s1
InChIKey NAYVDWJFVXWOFH-YWNJRVHOSA-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@@](O)(C)C[C@@]45OC2=O)C)C)C
Metabolite of Species Details
Streptomycesspecies LC-6-2 (NCBI:txid1676287) See: PubMed
ChEBI Ontology
Outgoing Abybetaomicin S (CHEBI:207169) is a furopyran (CHEBI:74927)
IUPAC Name
(1R,2S,3S,4S,5R,7S,9S,14S,16R,18R)-2,4,7,10,16-pentahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione