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CHEBI:222935 - monoacetylgraclliformin

ChEBI IDCHEBI:222935
ChEBI Namemonoacetylgraclliformin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24O11
Net Charge0
Average Mass584.533
Monoisotopic Mass584.13186
SMILESCC(=O)OC1[C@@H]2[C@H]3C(O)[C@@H]4C(=O)C5=C(O)c6c(O)cc(C)cc6C(=O)C53[C@H]1C(=O)C1=C(O)c3c(O)cc(C)cc3C(=O)C124
InChIInChI=1S/C32H24O11/c1-8-4-11-15(13(34)6-8)23(36)19-26(39)21-25(38)17-18-28(43-10(3)33)22(31(17,19)29(11)41)27(40)20-24(37)16-12(30(42)32(18,20)21)5-9(2)7-14(16)35/h4-7,17-18,21-22,25,28,34-38H,1-3H3/t17-,18-,21+,22-,25?,28?,31?,32?/m0/s1
InChIKeyMKBFGRKXGKBEGT-MILMEHLDSA-N
Species of MetaboliteComponentSourceComments
Cladonia (ncbitaxon:5199) - DOI (10.1016/0031-9422(75)85055-2)
ChEBI Ontology
Outgoing Relation(s)
monoacetylgraclliformin (CHEBI:222935) is a naphthols (CHEBI:25392)
IUPAC Name 
[(1R,13R,15R,16R)-8,10,23,25,28-pentahydroxy-6,21-dimethyl-3,12,18,27-tetraoxo-14-octacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaenyl] acetate