CHEBI:207180 - Abybetaomicin U

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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 U
ChEBI ID CHEBI:207180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24O8
Net Charge 0
Average Mass 392.404
Monoisotopic Mass 392.14712
InChI InChI=1S/C20H24O8/c1-7-5-18(3,25)15(23)13-12(26-13)10-14(22)19(4)8(2)6-20(10)16(27-19)9(11(7)21)17(24)28-20/h7-8,10,12-14,22,25H,5-6H2,1-4H3/t7-,8-,10-,12+,13-,14-,18-,19-,20-/m0/s1
InChIKey DEDOORYCHRBMCA-SGXCGXGBSA-N
SMILES O=C1C=2C(=O)O[C@]34C2O[C@]([C@@H](O)[C@@H]3[C@H]5O[C@@H]5C([C@](C[C@@H]1C)(O)C)=O)([C@@H](C)C4)C
Metabolite of Species Details
Streptomycesspecies LC-6-2 (NCBI:txid1676287) See: PubMed
ChEBI Ontology
Outgoing Abybetaomicin U (CHEBI:207180) is a oxanes (CHEBI:46942)
IUPAC Name
(1S,2S,3R,4R,6S,8S,10S,15S,17S)-2,8-dihydroxy-1,8,10,17-tetramethyl-5,14,18-trioxapentacyclo[10.5.2.03,15.04,6.015,19]nonadec-12(19)-ene-7,11,13-trione
Manual Xref Database
78440551 ChemSpider
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