CHEBI:18073 - xanthoaphin

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ChEBI Name xanthoaphin
ChEBI ID CHEBI:18073
Definition The product from the treatment of protoaphin aglucone with protoaphin dehydratase (EC 4.2.1.73).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15320, CHEBI:27321, CHEBI:10062
Supplier Information
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Formula C30H26O10
Net Charge 0
Average Mass 546.52140
Monoisotopic Mass 546.15260
InChI InChI=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
InChIKey HNUPXDLGAHSVEQ-YSPTYUJLSA-N
SMILES [H][C@@]12O[C@@]3(O)CC(=O)c4c(O)c5[C@@H](C)O[C@H](C)[C@@]6([H])O[C@@]7(O)CC(=O)c8c(O)c([C@@H](C)O[C@@H]1C)c2c1c3c4c(c56)c7c81
ChEBI Ontology
Outgoing 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 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 Sources
Xanthoaphin KEGG COMPOUND
xanthoaphin-fb ChEBI
Manual Xref Database
C01863 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
102020 Beilstein Registry Number Beilstein
1674-44-8 CAS Registry Number KEGG COMPOUND
Last Modified
24 June 2014