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CHEBI:224691 - 1'-hydroxyisochainin

ChEBI IDCHEBI:224691
ChEBI Name1'-hydroxyisochainin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O11
Net Charge0
Average Mass626.784
Monoisotopic Mass626.36661
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[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/c1-4-12-29(40)32-31(42)20-27(38)18-25(36)16-23(34)15-24(35)17-26(37)19-30(41)21(2)13-10-8-6-5-7-9-11-14-28(39)22(3)44-33(32)43/h5-11,13-14,22-32,34-42H,4,12,15-20H2,1-3H3/b6-5+,9-7+,10-8+,14-11+,21-13-/t22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32+/m0/s1
InChIKeyKNCFCXVSJDEECT-GLYORSCVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2722673)
ChEBI Ontology
Outgoing Relation(s)
1'-hydroxyisochainin (CHEBI:224691) is a macrolide (CHEBI:25106)
IUPAC Name 
(3R,4R,6R,8S,10R,12R,14R,16R,17Z,19E,21E,23E,25E,27S,28S)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1S)-1-hydroxybutyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one