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CHEBI:209631 - Shellmycin A

ChEBI IDCHEBI:209631
ChEBI NameShellmycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O9
Net Charge0
Average Mass468.458
Monoisotopic Mass468.14203
SMILESCC=C[C@@H](O)[C@](C)(O)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4O
InChIInChI=1S/C25H24O9/c1-3-4-17(29)25(2,33)18-10-16(28)20-12(9-19(30)31)7-11-8-13-14(26)5-6-15(27)22(13)23(32)21(11)24(20)34-18/h3-4,7-8,10,14,17,26,29,32-33H,5-6,9H2,1-2H3,(H,30,31)/t14-,17+,25-/m0/s1
InChIKeyABMDAGRSUWMYPO-AXUAAXHCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31963176)
ChEBI Ontology
Outgoing Relation(s)
Shellmycin A (CHEBI:209631) is a organic heterotricyclic compound (CHEBI:26979)
Shellmycin A (CHEBI:209631) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(8S)-2-[(2S,3R)-2,3-dihydroxyhex-4-en-2-yl]-8,12-dihydroxy-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid