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CHEBI:215457 - Grisorixin G1

ChEBI IDCHEBI:215457
ChEBI NameGrisorixin G1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O13
Net Charge0
Average Mass754.955
Monoisotopic Mass754.45034
SMILESCO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C(=O)O)C[C@@H]4CO)O3)C[C@H]2C)[C@@H]1C
InChIInChI=1S/C40H66O13/c1-20-10-11-26(48-32(20)23(4)35(42)43)16-27-17-29(47-9)24(5)40(50-27)22(3)18-38(7,53-40)31-12-13-37(6,51-31)34-25(19-41)15-30(49-34)33-28(36(44)45)14-21(2)39(8,46)52-33/h20-34,41,46H,10-19H2,1-9H3,(H,42,43)(H,44,45)/t20-,21+,22+,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+,37-,38-,39-,40+/m0/s1
InChIKeyPSECFOQALIHLTO-XJRYWIKNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces rimosus (ncbitaxon:1927) - PubMed (6678911)
ChEBI Ontology
Outgoing Relation(s)
Grisorixin G1 (CHEBI:215457) is a ketal (CHEBI:59777)
IUPAC Name 
(2S,3S,5R,6S)-2-[(2R,4R,5R)-5-[(2S,5R)-5-[(2S,4R,5R,6R,7R,9R)-9-[[(2R,5S,6R)-6-[(1R)-1-carboxyethyl]-5-methyloxan-2-yl]methyl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]-4-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-5,6-dimethyloxane-3-carboxylic acid
Manual XrefsDatabases
78439790ChemSpider