CHEBI:186920 - Mulberrofuran Q

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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 Mulberrofuran Q
ChEBI ID CHEBI:186920
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H24O10
Net Charge 0
Average Mass 592.556
Monoisotopic Mass 592.13695
InChI InChI=1S/C34H24O10/c1-32-14-22(20-6-4-19(37)13-27(20)42-32)33-30(31(32)40)29-24(39)8-16(25-9-15-2-3-18(36)12-26(15)41-25)10-28(29)43-34(33,44-33)21-7-5-17(35)11-23(21)38/h2-13,22,30,35-39H,14H2,1H3
InChIKey MSVXRBNAPJJEDX-UHFFFAOYSA-N
SMILES O1C23C1(OC=4C(C2C(=O)C5(OC6=C(C3C5)C=CC(O)=C6)C)=C(O)C=C(C4)C=7OC8=C(C7)C=CC(O)=C8)C9=C(O)C=C(O)C=C9
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Mulberrofuran Q (CHEBI:186920) is a benzofurans (CHEBI:35259)
IUPAC Name
4-(2,4-dihydroxyphenyl)-10,18-dihydroxy-8-(6-hydroxy-1-benzouran-2-yl)-14-methyl-3,5,15-trioxahexacyclo[12.7.1.02,4.02,12.06,11.016,21]docosa-6,8,10,16(21),17,19-hexaen-13-one
Manual Xrefs Databases
4478126 ChemSpider
HMDB0036637 HMDB
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