CHEBI:199114 - YM-32890 B

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 YM-32890 B
ChEBI ID CHEBI:199114
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H48O6
Net Charge 0
Average Mass 540.741
Monoisotopic Mass 540.34509
InChI InChI=1S/C33H48O6/c1-5-6-7-9-13-25(2)18-21-32-27(4)19-20-28(34)15-10-8-11-16-29(35)22-26(3)14-12-17-30(36)23-31(37)24-33(38)39-32/h5-10,12-13,17-20,27-32,34-37H,1,3,11,14-16,21-24H2,2,4H3/b7-6+,10-8+,13-9-,17-12+,20-19+,25-18-
InChIKey QETZYFKPMZHAFT-NWFTXAHQSA-N
SMILES O=C1OC(C(C=CC(O)CC=CCCC(CC(CC=CC(CC(C1)O)O)=C)O)C)C/C=C(\C=C/C=C/C=C)/C
Metabolite of Species Details
Cytophaga (NCBI:txid978) See: PubMed
ChEBI Ontology
Outgoing YM-32890 B (CHEBI:199114) is a macrolide (CHEBI:25106)
IUPAC Name
(7E,15E,19E)-4,6,12,18-tetrahydroxy-21-methyl-10-methylidene-22-[(2Z,4Z,6E)-3-methylnona-2,4,6,8-tetraenyl]-1-oxacyclodocosa-7,15,19-trien-2-one
Manual Xref Database
8612726 ChemSpider
View more database links