CHEBI:145987 - julichrome Q6-6

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ChEBI Name julichrome Q6-6
ChEBI ID CHEBI:145987
ChEBI ASCII Name julichrome Q6-6
Definition A member of the class of bianthracenes resulting from the 7,7'-oxidative dimerisation of julichrome Q6. The major species at pH 7.3
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C38H38O12
Net Charge 0
Average Mass 686.710
Monoisotopic Mass 686.23633
InChI InChI=1S/C38H38O12/c1-15(49-17(3)39)31-23-11-19-7-9-21(33(43)27(19)35(45)29(23)25(41)13-37(31,5)47)22-10-8-20-12-24-30(36(46)28(20)34(22)44)26(42)14-38(6,48)32(24)16(2)50-18(4)40/h7-12,15-16,31-32,43-48H,13-14H2,1-6H3/t15-,16-,31-,32-,37+,38+/m1/s1
InChIKey UYEWMDUNNUBCMC-WJUADSEPSA-N
SMILES C1(=C(C=CC2=C1C(=C3C(=C2)[C@]([C@@](CC3=O)(C)O)([C@@H](C)OC(C)=O)[H])O)C4=C(C5=C(C=C4)C=C6C(=C5O)C(C[C@]([C@@]6([C@@H](C)OC(C)=O)[H])(C)O)=O)O)O
ChEBI Ontology
Outgoing julichrome Q6-6 (CHEBI:145987) has functional parent julichrome Q6 (CHEBI:145986)
julichrome Q6-6 (CHEBI:145987) is a acetate ester (CHEBI:47622)
julichrome Q6-6 (CHEBI:145987) is a bianthracenes (CHEBI:145988)
julichrome Q6-6 (CHEBI:145987) is a cyclic ketone (CHEBI:3992)
julichrome Q6-6 (CHEBI:145987) is a polyketide (CHEBI:26188)
julichrome Q6-6 (CHEBI:145987) is a tertiary alcohol (CHEBI:26878)
julichrome Q6-6 (CHEBI:145987) is conjugate acid of julichrome Q6-6(1−) (CHEBI:146003)
Incoming julichrome Q6-6(1−) (CHEBI:146003) is conjugate base of julichrome Q6-6 (CHEBI:145987)
IUPAC Name
[(5S,5'S,6S,6'S)-1,1',6,6',9,9'-hexahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro[2,2'-bianthracene]-5,5'-diyl]di(1R)ethane-1,1-diyl diacetate
Synonym Source
julichrome Q6.6 ChEBI
Citations Waiting for Citations Types Sources
24746278 PubMed citation SUBMITTER
31135188 PubMed citation Europe PMC
Last Modified
07 February 2020