CHEBI:204002 - Roseopurpurin C

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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 Roseopurpurin C
ChEBI ID CHEBI:204002
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20O7
Net Charge 0
Average Mass 348.351
Monoisotopic Mass 348.12090
InChI InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1
InChIKey KMXWTZIYEQGIFH-RYRKJORJSA-N
SMILES O=C1OC2=C(C(=O)[C@@H](O)[C@@]([C@H]2OC3=C1C(=CC(=C3C)O)C)(OC)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Roseopurpurin C (CHEBI:204002) is a aromatic ether (CHEBI:35618)
IUPAC Name
(1S,2S,11aS)-2,9-dihydroxy-1-methoxy-1,4,7,10-tetramethyl-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione
Manual Xref Database
78440180 ChemSpider
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