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CHEBI:226293 - Grincamycin G

ChEBI IDCHEBI:226293
ChEBI NameGrincamycin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H46O15
Net Charge0
Average Mass802.826
Monoisotopic Mass802.28367
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)c4cc5c(c(O)c4C3)C(=O)c3ccc([C@H]4C[C@H]6O[C@H]7CC(=O)[C@H](C)O[C@H]7O[C@@H]6[C@@H](C)O4)c(O)c3C5=O)O[C@H]2C)C=CC1=O
InChIInChI=1S/C43H46O15/c1-17-26(44)8-10-33(52-17)56-29-9-11-34(53-19(29)3)58-43(5)15-25-23(28(46)16-43)12-24-36(40(25)50)38(48)22-7-6-21(37(47)35(22)39(24)49)30-14-31-41(20(4)51-30)57-42-32(55-31)13-27(45)18(2)54-42/h6-8,10,12,17-20,29-34,41-42,47,50H,9,11,13-16H2,1-5H3/t17-,18-,19-,20+,29-,30+,31+,32-,33-,34-,41+,42-,43+/m0/s1
InChIKeyHQRAGKSDWBVQSM-LVDGLTGYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28223690)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin G (CHEBI:226293) is a quinone (CHEBI:36141)
Grincamycin G (CHEBI:226293) is a tetracenes (CHEBI:51270)
IUPAC Name 
(3R)-9-[(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]-5,10-dihydroxy-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrotetracene-1,6,11-trione
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61708746ChemSpider