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CHEBI:221520 - Aigialomycin G

ChEBI IDCHEBI:221520
ChEBI NameAigialomycin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O9
Net Charge0
Average Mass398.408
Monoisotopic Mass398.15768
SMILESCOc1cc(O)c2c(c1)[C@@H](O)[C@H](C[C@H](O)[C@H](O)[C@]1(O)CCC[C@H](C)O1)OC2=O
InChIInChI=1S/C19H26O9/c1-9-4-3-5-19(25,28-9)17(23)13(21)8-14-16(22)11-6-10(26-2)7-12(20)15(11)18(24)27-14/h6-7,9,13-14,16-17,20-23,25H,3-5,8H2,1-2H3/t9-,13-,14-,16+,17-,19-/m0/s1
InChIKeyBLRCKXAFWRAWRL-OQNHOITPSA-N
Species of MetaboliteComponentSourceComments
Aigialus (ncbitaxon:193126) - DOI (10.1016/j.tet.2009.03.050)
ChEBI Ontology
Outgoing Relation(s)
Aigialomycin G (CHEBI:221520) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4R)-3-[(2S,3S)-2,3-dihydroxy-3-[(2S,6S)-2-hydroxy-6-methyloxan-2-yl]propyl]-4,8-dihydroxy-6-methoxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
27024203ChemSpider