EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198597 - Maltepolide C

ChEBI IDCHEBI:198597
ChEBI NameMaltepolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O8
Net Charge0
Average Mass546.701
Monoisotopic Mass546.31927
SMILESCO[C@H]1C[C@H]2O[C@H]1/C=C(/C)[C@H](O)C/C=C/C=C(\C)C(=O)[C@@H](C)/C=C(\C)C(=O)O[C@H](/C=C/[C@@H](OC)[C@H](C)O)[C@@H]2C
InChIInChI=1S/C31H46O8/c1-18-11-9-10-12-24(33)19(2)16-29-28(37-8)17-27(38-29)22(5)25(13-14-26(36-7)23(6)32)39-31(35)21(4)15-20(3)30(18)34/h9-11,13-16,20,22-29,32-33H,12,17H2,1-8H3/b10-9+,14-13+,18-11+,19-16-,21-15+/t20-,22-,23-,24+,25+,26+,27+,28-,29-/m0/s1
InChIKeyAZZJDIMGZUGVSD-NYIYWUFPSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (23592574)
ChEBI Ontology
Outgoing Relation(s)
Maltepolide C (CHEBI:198597) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,3R,6E,8S,10E,12E,15R,16Z,18S,19S)-15-hydroxy-3-[(E,3R,4S)-4-hydroxy-3-methoxypent-1-enyl]-19-methoxy-2,6,8,10,16-pentamethyl-4,21-dioxabicyclo[16.2.1]henicosa-6,10,12,16-tetraene-5,9-dione
Manual XrefsDatabases
78440015ChemSpider