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CHEBI:211647 - Hydroxyikarugamycin B

ChEBI IDCHEBI:211647
ChEBI NameHydroxyikarugamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N2O7
Net Charge0
Average Mass542.673
Monoisotopic Mass542.29920
SMILESCO[C@H](C)[C@H]1[C@@H]2[C@H](O)[C@@H](O)[C@H]3[C@H](C[C@H]4/C=C/C(O)=C5C(=O)N[C@@H](CCCNC(=O)/C=C\C[C@H]34)C5=O)[C@H]2C[C@H]1C
InChIInChI=1S/C30H42N2O7/c1-14-12-18-19-13-16-9-10-21(33)26-27(35)20(32-30(26)38)7-5-11-31-22(34)8-4-6-17(16)24(19)28(36)29(37)25(18)23(14)15(2)39-3/h4,8-10,14-20,23-25,28-29,33,36-37H,5-7,11-13H2,1-3H3,(H,31,34)(H,32,38)/b8-4-,10-9+,26-21?/t14-,15-,16-,17+,18-,19-,20+,23+,24-,25-,28+,29+/m1/s1
InChIKeyFZIHVQYNOYUBMN-YFVMNMSESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.10.007)
ChEBI Ontology
Outgoing Relation(s)
Hydroxyikarugamycin B (CHEBI:211647) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(3E,5S,7R,8R,10R,11R,12R,13S,14S,15R,16S,18Z,25S)-2,13,14-trihydroxy-11-[(1R)-1-methoxyethyl]-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,18-triene-20,27,28-trione