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CHEBI:224687 - 1'14-dihydroxyisochainin

ChEBI IDCHEBI:224687
ChEBI Name1'14-dihydroxyisochainin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O12
Net Charge0
Average Mass642.783
Monoisotopic Mass642.36153
SMILESCCC[C@H](O)[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/C33H54O12/c1-4-12-27(39)30-28(40)18-24(36)16-22(34)15-23(35)17-25(37)19-29(41)32(43)31(42)20(2)13-10-8-6-5-7-9-11-14-26(38)21(3)45-33(30)44/h5-11,13-14,21-32,34-43H,4,12,15-19H2,1-3H3/b6-5+,9-7+,10-8+,14-11+,20-13-/t21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32?/m0/s1
InChIKeyMELIVMKAQSVXIP-WXPXFEISSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2722673)
ChEBI Ontology
Outgoing Relation(s)
1'14-dihydroxyisochainin (CHEBI:224687) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,4R,6R,8S,10R,12R,14R,16S,17Z,19E,21E,23E,25E,27S,28S)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1S)-1-hydroxybutyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one