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CHEBI:213430 - Grincamycin C

ChEBI IDCHEBI:213430
ChEBI NameGrincamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H44O14
Net Charge0
Average Mass712.745
Monoisotopic Mass712.27311
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)CCC1=O
InChIInChI=1S/C37H44O14/c1-16-23(38)9-11-28(48-16)50-25-10-12-29(49-17(25)2)51-36-18(3)47-26(13-24(36)39)20-7-8-22-31(33(20)43)35(45)21-6-5-19(32(42)30(21)34(22)44)14-37(4,46)15-27(40)41/h5-8,16-18,24-26,28-29,36,39,42-43,46H,9-15H2,1-4H3,(H,40,41)/t16-,17-,18+,24+,25-,26+,28-,29-,36+,37+/m0/s1
InChIKeyAWLGEFWKPFTPQO-SRLSEHIVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22304344)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin C (CHEBI:213430) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
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