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CHEBI:222153 - Grincamycin Q

ChEBI IDCHEBI:222153
ChEBI NameGrincamycin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H43NO14
Net Charge0
Average Mass725.744
Monoisotopic Mass725.26836
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)O[C@@H]3C)O[C@H]2C)C(N)=CC1=O
InChIInChI=1S/C37H43NO14/c1-15-23(39)11-22(38)36(50-15)51-25-9-10-28(49-16(25)2)52-35-17(3)48-26(12-24(35)40)19-7-8-21-30(32(19)44)34(46)20-6-5-18(31(43)29(20)33(21)45)13-37(4,47)14-27(41)42/h5-8,11,15-17,24-26,28,35-36,40,43-44,47H,9-10,12-14,38H2,1-4H3,(H,41,42)/t15-,16-,17+,24+,25-,26+,28-,35+,36-,37+/m0/s1
InChIKeySRVAFCHHVBECFL-UWPZXYQISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33899471)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin Q (CHEBI:222153) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-4-[6-[(2R,4R,5S,6R)-5-[(2S,5S,6S)-5-[[(2R,6S)-3-amino-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
Manual XrefsDatabases
109107864ChemSpider