EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226315 - Cryptosporioptide

ChEBI IDCHEBI:226315
ChEBI NameCryptosporioptide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H34O18
Net Charge0
Average Mass778.672
Monoisotopic Mass778.17451
SMILESCOC(=O)CC(=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)CC(=O)OC)[C@]4(C)O5)c3O)O[C@]21C
InChIInChI=1S/C38H34O18/c1-35-23(29(47)31-37(3,55-31)33(35)51-19(41)11-17(39)49-5)27(45)21-15(53-35)9-7-13(25(21)43)14-8-10-16-22(26(14)44)28(46)24-30(48)32-38(4,56-32)34(36(24,2)54-16)52-20(42)12-18(40)50-6/h7-10,31-34,43-46H,11-12H2,1-6H3/t31-,32-,33+,34+,35+,36+,37-,38-/m0/s1
InChIKeyPWQAHOPTVKKMLO-ITMJCMDYSA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsisspecies (ncbitaxon:1756097) - PubMed (23642454)
ChEBI Ontology
Outgoing Relation(s)
Cryptosporioptide (CHEBI:226315) is a xanthenes (CHEBI:38835)
IUPAC Name 
3-O-[(1R,12R,14R,15R)-6-[(1R,12R,14R,15R)-7,9-dihydroxy-15-(3-methoxy-3-oxopropanoyl)oxy-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] 1-O-methyl propanedioate