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CHEBI:203298 - Cryptosporioptide A

ChEBI IDCHEBI:203298
ChEBI NameCryptosporioptide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H30O18
Net Charge0
Average Mass750.618
Monoisotopic Mass750.14321
SMILESC[C@]12O[C@H]1C(=O)C1=C(O)c3c(ccc(-c4ccc5c(c4O)C(O)=C4C(=O)[C@@H]6O[C@]6(C)[C@H](OC(=O)CC(=O)O)[C@]4(C)O5)c3O)O[C@@]1(C)[C@H]2OC(=O)CC(=O)O
InChIInChI=1S/C36H30O18/c1-33-21(27(47)29-35(3,53-29)31(33)49-17(41)9-15(37)38)25(45)19-13(51-33)7-5-11(23(19)43)12-6-8-14-20(24(12)44)26(46)22-28(48)30-36(4,54-30)32(34(22,2)52-14)50-18(42)10-16(39)40/h5-8,29-32,43-46H,9-10H2,1-4H3,(H,37,38)(H,39,40)/t29-,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKeyTXRNSKPHZNMMMH-UKYVRAJSSA-N
Species of MetaboliteComponentSourceComments
Paraisaria gracilioides (ncbitaxon:2651847) - PubMed (25849805)
ChEBI Ontology
Outgoing Relation(s)
Cryptosporioptide A (CHEBI:203298) is a xanthenes (CHEBI:38835)
IUPAC Name 
3-[[(1R,12R,14R,15R)-6-[(1R,12R,14R,15R)-15-(2-carboxyacetyl)oxy-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]oxy]-3-oxopropanoic acid