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CHEBI:215167 - Grincamycin D

ChEBI IDCHEBI:215167
ChEBI NameGrincamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H50O16
Net Charge0
Average Mass822.857
Monoisotopic Mass822.30989
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@](C)(CC(=O)O)Cc3ccc4c(c3O)C(=O)c3ccc([C@H]5C[C@H]6O[C@H]7CC(=O)[C@H](C)O[C@H]7O[C@@H]6[C@@H](C)O5)c(O)c3C4=O)O[C@H]2C)CCC1=O
InChIInChI=1S/C43H50O16/c1-18-26(44)10-12-33(53-18)57-28-11-13-34(54-20(28)3)59-43(5,17-32(46)47)16-22-6-7-24-35(37(22)48)39(50)25-9-8-23(38(49)36(25)40(24)51)29-15-30-41(21(4)52-29)58-42-31(56-30)14-27(45)19(2)55-42/h6-9,18-21,28-31,33-34,41-42,48-49H,10-17H2,1-5H3,(H,46,47)/t18-,19-,20-,21+,28-,29+,30+,31-,33-,34-,41+,42-,43+/m0/s1
InChIKeyRTZAMMXBZUIQSH-HIAMVLHPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22304344)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin D (CHEBI:215167) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[6-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxybutanoic acid
Manual XrefsDatabases
28502613ChemSpider