CHEBI:210536 - 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione)
ChEBI ID CHEBI:210536
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H42O13
Net Charge 0
Average Mass 754.785
Monoisotopic Mass 754.26254
InChI InChI=1S/C42H42O13/c1-5-7-9-11-29(53-3)35-27(45)17-23-33(41(35)51)39(49)31-21(37(23)47)13-19(15-25(31)43)55-20-14-22-32(26(44)16-20)40(50)34-24(38(22)48)18-28(46)36(42(34)52)30(54-4)12-10-8-6-2/h13-18,29-30,43-46,51-52H,5-12H2,1-4H3/t29-,30-/m0/s1
InChIKey FMTOONJSDWEQTN-KYJUHHDHSA-N
SMILES O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=C5C(=O)C=6C(O)=C([C@@H](OC)CCCCC)C(=CC6C(C5=C4)=O)O)C3)[C@@H](OC)CCCCC
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing 6,6'-oxybis(1,3,8-trihydroxy-2-((S)-1-methoxyhexyl)anthracene-9,10-dione) (CHEBI:210536) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
1,3,8-trihydroxy-2-[(1S)-1-methoxyhexyl]-6-[4,5,7-trihydroxy-6-[(1S)-1-methoxyhexyl]-9,10-dioxoanthracen-2-yl]oxyanthracene-9,10-dione
Manual Xref Database
71117682 ChemSpider
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