CHEBI:185688 - Acrimarine I

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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 Acrimarine I
ChEBI ID CHEBI:185688
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H31NO7
Net Charge 0
Average Mass 565.622
Monoisotopic Mass 565.21005
InChI InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3
InChIKey GSUYTELQWICLMF-UHFFFAOYSA-N
SMILES O1C2=C(C(C3=C(OC)C=C4OC(=O)C=CC4=C3)C=C(C)C)C(O)=C5C(N(C6=C(C5=O)C=CC=C6O)C)=C2C=CC1(C)C
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 Acrimarine I (CHEBI:185688) has functional parent acridone (CHEBI:50756)
Acrimarine I (CHEBI:185688) is a acridines (CHEBI:22213)
IUPAC Name
6,11-dihydroxy-5-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Manual Xrefs Databases
35014941 ChemSpider
HMDB0040387 HMDB
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