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CHEBI:211640 - Hydroxyikarugamycin A

ChEBI IDCHEBI:211640
ChEBI NameHydroxyikarugamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N2O8
Net Charge0
Average Mass558.672
Monoisotopic Mass558.29412
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](C5=O)[C@@H](O)CCNC(=O)/C=C\C[C@H]34)[C@H]2C[C@H]1C
InChIInChI=1S/C30H42N2O8/c1-13-11-17-18-12-15-7-8-19(33)25-27(36)26(32-30(25)39)20(34)9-10-31-21(35)6-4-5-16(15)23(18)28(37)29(38)24(17)22(13)14(2)40-3/h4,6-8,13-18,20,22-24,26,28-29,33-34,37-38H,5,9-12H2,1-3H3,(H,31,35)(H,32,39)/b6-4-,8-7+,25-19?/t13-,14-,15-,16+,17-,18-,20+,22+,23-,24-,26+,28+,29+/m1/s1
InChIKeyFIXAZGJDYCUWPO-PCLXVHORSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.10.007)
ChEBI Ontology
Outgoing Relation(s)
Hydroxyikarugamycin A (CHEBI:211640) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(3E,5S,7R,8R,10R,11R,12R,13S,14S,15R,16S,18Z,24S,25S)-2,13,14,24-tetrahydroxy-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