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CHEBI:213461 - (4S, 10R, 4'S)-leptothalenone B

ChEBI IDCHEBI:213461
ChEBI Name(4S, 10R, 4'S)-leptothalenone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESCOc1cc2c(c(O)c1CO[C@H](C)c1c(OC)cc3c(c1O)C(=O)CC[C@@H]3O)C(=O)CC[C@@H]2O
InChIInChI=1S/C25H28O9/c1-11(21-20(33-3)9-13-16(27)5-7-18(29)23(13)25(21)31)34-10-14-19(32-2)8-12-15(26)4-6-17(28)22(12)24(14)30/h8-9,11,15-16,26-27,30-31H,4-7,10H2,1-3H3/t11-,15+,16+/m1/s1
InChIKeyYCCGLTFTIMXHAZ-RLCCDNCMSA-N
Species of MetaboliteComponentSourceComments
Leptosphaerulina (ncbitaxon:55172) - PubMed (29883375)
ChEBI Ontology
Outgoing Relation(s)
(4S, 10R, 4'S)-leptothalenone B (CHEBI:213461) is a tetralins (CHEBI:36786)
IUPAC Name 
(4S)-7-[[(1R)-1-[(5S)-1,5-dihydroxy-3-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl]ethoxy]methyl]-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
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