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CHEBI:205982 - Peyronetide B

ChEBI IDCHEBI:205982
ChEBI NamePeyronetide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
SMILESCC[C@H](C)/C=C(\C)c1cc2c(C=O)c(O)c3c(c2o1)C=C(OC)[C@@](O)(CC(C)=O)C3=O
InChIInChI=1S/C24H26O7/c1-6-12(2)7-13(3)18-8-15-17(11-25)21(27)20-16(22(15)31-18)9-19(30-5)24(29,23(20)28)10-14(4)26/h7-9,11-12,27,29H,6,10H2,1-5H3/b13-7+/t12-,24-/m0/s1
InChIKeyQVZJKUGRRBTCQO-XUHHNZALSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (30621059)
ChEBI Ontology
Outgoing Relation(s)
Peyronetide B (CHEBI:205982) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(7S)-5,7-dihydroxy-8-methoxy-2-[(E,4S)-4-methylhex-2-en-2-yl]-6-oxo-7-(2-oxopropyl)benzo[g][1]benzouran-4-carbaldehyde