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CHEBI:18073 - xanthoaphin

ChEBI IDCHEBI:18073
ChEBI Namexanthoaphin
Stars
DefinitionThe product from the treatment of protoaphin aglucone with protoaphin dehydratase (EC 4.2.1.73).
Secondary ChEBI IDsCHEBI:10062, CHEBI:15320, CHEBI:27321
Last Modified24 June 2014
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILES[H][C@]12O[C@@]3(O)CC(=O)c4c(O)c5c6c7c8c9c(c(O)c(c1c9c3c47)[C@@H](C)O[C@@H]2C)C(=O)C[C@]8(O)O[C@]6([H])[C@@H](C)O[C@@H]5C
InChIInChI=1S/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-10(4)28(40-30)22(14)20)12(32)6-29(35,23(18)19)39-27(21)9(3)37-7/h7-10,27-28,33-36H,5-6H2,1-4H3/t7-,8-,9-,10-,27-,28-,29+,30+/m1/s1
InChIKeyHNUPXDLGAHSVEQ-YSPTYUJLSA-N
ChEBI Ontology
Outgoing Relation(s)
xanthoaphin (CHEBI:18073) is a hemiketal (CHEBI:59772)
xanthoaphin (CHEBI:18073) is a organic polycyclic compound (CHEBI:51958)
xanthoaphin (CHEBI:18073) is conjugate acid of xanthoaphin(1−) (CHEBI:77712)
Incoming Relation(s)
xanthoaphin(1−) (CHEBI:77712) is conjugate base of xanthoaphin (CHEBI:18073)
IUPAC Name 
(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-1,3,3a,4a,5,8,10,10a,11a,12-decahydro-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione
Synonyms  Source
XanthoaphinKEGG COMPOUND
xanthoaphin-fbChEBI
Manual XrefsDatabases
C01863KEGG COMPOUND
Registry NumbersSources
Beilstein:102020Beilstein
CAS:1674-44-8KEGG COMPOUND