CHEBI:207149 - Abybetaomicin P

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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 P
ChEBI ID CHEBI:207149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O8
Net Charge 0
Average Mass 408.447
Monoisotopic Mass 408.17842
InChI InChI=1S/C21H28O8/c1-8-6-18(3,26)15(23)12-14(27-5)11-16(24)19(4)9(2)7-20(11)21(12,29-19)10(13(8)22)17(25)28-20/h8-9,11-12,14,16,22,24,26H,6-7H2,1-5H3/t8-,9-,11-,12-,14-,16-,18-,19-,20-,21-/m0/s1
InChIKey HRQVZXBGBCUWQA-IIYJEMGZSA-N
SMILES O=C1[C@@](O)(C[C@@H](C(O)=C2[C@@]34[C@H]1[C@@H](OC)[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 P (CHEBI:207149) is a furopyran (CHEBI:74927)
IUPAC Name
(1S,2S,3R,4S,5R,7S,9S,14S,16S,18R)-2,7,10-trihydroxy-4-methoxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-ene-6,12-dione