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CHEBI:211650 - Hydroxyikarugamycin C

ChEBI IDCHEBI:211650
ChEBI NameHydroxyikarugamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O7
Net Charge0
Average Mass528.646
Monoisotopic Mass528.28355
SMILESC[C@@H]1C[C@@H]2[C@H]3C[C@H]4/C=C/C(O)=C5C(=O)N[C@@H](CCCNC(=O)/C=C\C[C@@H]4[C@H]3[C@H](O)[C@@H](O)[C@H]2[C@@H]1[C@@H](C)O)C5=O
InChIInChI=1S/C29H40N2O7/c1-13-11-17-18-12-15-8-9-20(33)25-26(35)19(31-29(25)38)6-4-10-30-21(34)7-3-5-16(15)23(18)27(36)28(37)24(17)22(13)14(2)32/h3,7-9,13-19,22-24,27-28,32-33,36-37H,4-6,10-12H2,1-2H3,(H,30,34)(H,31,38)/b7-3-,9-8+,25-20?/t13-,14-,15-,16+,17-,18-,19+,22+,23-,24-,27+,28+/m1/s1
InChIKeyRGIYQRIEWZMVCW-NRBUPWTDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.10.007)
ChEBI Ontology
Outgoing Relation(s)
Hydroxyikarugamycin C (CHEBI:211650) 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-hydroxyethyl]-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,18-triene-20,27,28-trione