CHEBI:200539 - Dendrodolide I

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 Dendrodolide I
ChEBI ID CHEBI:200539
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O4
Net Charge 0
Average Mass 228.288
Monoisotopic Mass 228.13616
InChI InChI=1S/C12H20O4/c1-9-4-2-5-10(13)6-3-7-11(14)8-12(15)16-9/h3,7,9-11,13-14H,2,4-6,8H2,1H3/t9-,10+,11-/m1/s1
InChIKey CDVLBLMYCPJLOU-OUAUKWLOSA-N
SMILES O=C1O[C@@H](CCC[C@H](O)CC=C[C@H](C1)O)C
Metabolite of Species Details
Dendrodochiumspecies (NCBI:txid2233641) See: PubMed
ChEBI Ontology
Outgoing Dendrodolide I (CHEBI:200539) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,8S,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one