CHEBI:227543 - Carbonarin 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 Carbonarin I
ChEBI ID CHEBI:227543
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H31NO10
Net Charge 0
Average Mass 613.619
Monoisotopic Mass 613.19480
InChI InChI=1S/C34H31NO10/c1-34(41)14-24(38)30-31(39)29-21(12-19(42-2)13-26(29)44-4)28(32(30)45-34)20-11-17(6-8-22(20)36)27-18(15-35-33(27)40)9-16-5-7-23(37)25(10-16)43-3/h5-8,10-13,36-37,39,41H,9,14-15H2,1-4H3,(H,35,40)
InChIKey QCASCFJHZCUOGX-UHFFFAOYSA-N
SMILES O=C1C=2C(OC(C1)(O)C)=C(C3=CC(OC)=CC(=C3C2O)OC)C4=C(O)C=CC(=C4)C=5C(=O)NCC5CC6=CC(OC)=C(O)C=C6
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Carbonarin I (CHEBI:227543) is a organic heterotricyclic compound (CHEBI:26979)
Carbonarin I (CHEBI:227543) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4-[3-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-4-hydroxyphenyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2-dihydropyrrol-5-one
Manual Xref Database
78435491 ChemSpider
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