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CHEBI:222172 - Grincamycin T

ChEBI IDCHEBI:222172
ChEBI NameGrincamycin T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H66O19
Net Charge0
Average Mass959.048
Monoisotopic Mass958.41983
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)c3c(O)cc(C[C@](C)(CC(=O)O)O[C@H]5CC[C@H](O[C@H]6CC[C@H](O)[C@H](C)O6)[C@H](C)O5)c(O)c3C4=O)O[C@@H]2C)CC[C@@H]1O[C@H]1CC[C@H](O)[C@H](C)O1
InChIInChI=1S/C49H66O19/c1-21-29(50)9-13-37(61-21)65-33-11-15-39(63-23(33)3)67-48-25(5)60-35(18-32(48)53)27-7-8-28-41(45(27)57)47(59)42-31(52)17-26(44(56)43(42)46(28)58)19-49(6,20-36(54)55)68-40-16-12-34(24(4)64-40)66-38-14-10-30(51)22(2)62-38/h7-8,17,21-25,29-30,32-35,37-40,48,50-53,56-57H,9-16,18-20H2,1-6H3,(H,54,55)/t21-,22-,23-,24-,25+,29-,30-,32+,33-,34-,35+,37-,38-,39-,40-,48+,49+/m0/s1
InChIKeyYLHBIFYZCBPPDG-BERQBBCUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33899471)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin T (CHEBI:222172) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-3-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-4-[1,4,5-trihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-9,10-dioxoanthracen-2-yl]butanoic acid