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CHEBI:221681 - Cryptosporioptide C

ChEBI IDCHEBI:221681
ChEBI NameCryptosporioptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H38O18
Net Charge0
Average Mass806.726
Monoisotopic Mass806.20581
SMILESCCC(C(=O)O)C(=O)O[C@H]1[C@@]2(C)O[C@H]2C(=O)C2=C(O)c3c(ccc(-c4ccc5c(c4O)C(O)=C4C(=O)[C@@H]6O[C@]6(C)[C@H](OC(=O)C(CC)C(=O)O)[C@]4(C)O5)c3O)O[C@]21C
InChIInChI=1S/C40H38O18/c1-7-13(31(47)48)33(51)53-35-37(3)21(27(45)29-39(35,5)57-29)25(43)19-17(55-37)11-9-15(23(19)41)16-10-12-18-20(24(16)42)26(44)22-28(46)30-40(6,58-30)36(38(22,4)56-18)54-34(52)14(8-2)32(49)50/h9-14,29-30,35-36,41-44H,7-8H2,1-6H3,(H,47,48)(H,49,50)/t13?,14?,29-,30-,35+,36+,37+,38+,39-,40-/m0/s1
InChIKeyTZUKFMFVOAIXGN-GNSYCBAESA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsisspecies 8999 (ncbitaxon:2572248) - PubMed (30996871)
ChEBI Ontology
Outgoing Relation(s)
Cryptosporioptide C (CHEBI:221681) is a xanthenes (CHEBI:38835)
IUPAC Name 
2-[[(1R,12R,14R,15R)-6-[(1R,12R,14R,15R)-15-(2-carboxybutanoyloxy)-7,9-dihydroxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-6-yl]-7,9-dihydroxy-1,14-dimethyl-11-oxo-2,13-dioxatetracyclo[8.5.0.03,8.012,14]pentadeca-3(8),4,6,9-tetraen-15-yl]oxycarbonyl]butanoic acid