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CHEBI:224697 - 14-hydroxyisochainin

ChEBI IDCHEBI:224697
ChEBI Name14-hydroxyisochainin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O11
Net Charge0
Average Mass626.784
Monoisotopic Mass626.36661
SMILESCCCC[C@H]1C(=O)O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(/C)[C@H](O)C(O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H]1O
InChIInChI=1S/C33H54O11/c1-4-5-14-27-29(39)19-25(36)17-23(34)16-24(35)18-26(37)20-30(40)32(42)31(41)21(2)13-11-9-7-6-8-10-12-15-28(38)22(3)44-33(27)43/h6-13,15,22-32,34-42H,4-5,14,16-20H2,1-3H3/b7-6+,10-8+,11-9+,15-12+,21-13-/t22-,23-,24+,25+,26+,27+,28-,29+,30+,31-,32?/m0/s1
InChIKeyDASONDJWGUJNLI-HYLPMEPBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2722673)
ChEBI Ontology
Outgoing Relation(s)
14-hydroxyisochainin (CHEBI:224697) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,4R,6R,8S,10R,12R,14R,16S,17Z,19E,21E,23E,25E,27S,28S)-3-butyl-4,6,8,10,12,14,15,16,27-nonahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one