CHEBI:211075 - Mangromicin I

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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 Mangromicin I
ChEBI ID CHEBI:211075
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O7
Net Charge 0
Average Mass 408.491
Monoisotopic Mass 408.21480
InChI InChI=1S/C22H32O7/c1-6-13-16-9-15(23)12(3)20(27-5)18(25)19-11(2)10-22(4,29-19)8-7-14(17(13)24)21(26)28-16/h11,13,16,18-20,24-25H,3,6-10H2,1-2,4-5H3/t11-,13+,16+,18-,19+,20-,22-/m0/s1
InChIKey DSYNVIWHKLRCQJ-LGUCFFLXSA-N
SMILES O=C1C(=C)[C@H](OC)[C@@H](O)[C@@H]2O[C@](CCC=3C(O[C@H](C1)[C@H](C3O)CC)=O)(C)C[C@@H]2C
Metabolite of Species Details
Lentzea (NCBI:txid165301) See: PubMed
ChEBI Ontology
Outgoing Mangromicin I (CHEBI:211075) is a pyranone (CHEBI:37963)
IUPAC Name
(4S,6S,7R,8S,9S,13R,17R)-17-ethyl-8,16-dihydroxy-9-methoxy-4,6-dimethyl-10-methylidene-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione
Manual Xref Database
78437435 ChemSpider
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