CHEBI:216364 - (1'R)-sporulosol

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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 (1'R)-sporulosol
ChEBI ID CHEBI:216364
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H22O8
Net Charge 0
Average Mass 462.454
Monoisotopic Mass 462.13147
InChI InChI=1S/C26H22O8/c1-12-7-6-8-17-20(12)24(28)26(3,33-17)34-22-18(31-5)9-13(2)19-15-10-14(30-4)11-16(27)21(15)25(29)32-23(19)22/h6-11,27H,1-5H3/t26-/m1/s1
InChIKey PWNYACBJAUETEX-AREMUKBSSA-N
SMILES O=C1OC2=C(O[C@]3(OC=4C=CC=C(C4C3=O)C)C)C(OC)=CC(=C2C=5C1=C(O)C=C(OC)C5)C
Metabolite of Species Details
Paraphaeosphaeriaspeciesrulosa (NCBI:txid1460663) See: PubMed
ChEBI Ontology
Outgoing (1'R)-sporulosol (CHEBI:216364) is a coumarins (CHEBI:23403)
IUPAC Name
4-[[(2R)-2,4-dimethyl-3-oxo-1-benzouran-2-yl]oxy]-7-hydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one