CHEBI:192051 - Mulberrofuran M

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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 M
ChEBI ID CHEBI:192051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H22O10
Net Charge 0
Average Mass 590.540
Monoisotopic Mass 590.12130
InChI InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3
InChIKey UCGIUWUATGREEP-UHFFFAOYSA-N
SMILES O1C2(CC(C=3OC4=C(C3C2=O)C(OC(=O)C5=C(O)C=C(O)C=C5)=CC(=C4)C=6OC7=C(C6)C=CC(O)=C7)C8=C1C=C(O)C=C8)C
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Mulberrofuran M (CHEBI:192051) is a benzofurans (CHEBI:35259)
IUPAC Name
[16-hydroxy-6-(6-hydroxy-1-benzouran-2-yl)-12-methyl-11-oxo-3,13-dioxapentacyclo[10.7.1.02,10.04,9.014,19]icosa-2(10),4(9),5,7,14(19),15,17-heptaen-8-yl] 2,4-dihydroxybenzoate
Manual Xrefs Databases
10218753 ChemSpider
HMDB0033261 HMDB
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