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CHEBI:209640 - Shellmycin C

ChEBI IDCHEBI:209640
ChEBI NameShellmycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O9
Net Charge0
Average Mass468.458
Monoisotopic Mass468.14203
SMILESC[C@H](O)C=C[C@@](C)(O)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4O
InChIInChI=1S/C25H24O9/c1-11(26)5-6-25(2,33)18-10-17(29)20-13(9-19(30)31)7-12-8-14-15(27)3-4-16(28)22(14)23(32)21(12)24(20)34-18/h5-8,10-11,15,26-27,32-33H,3-4,9H2,1-2H3,(H,30,31)/t11-,15-,25+/m0/s1
InChIKeyHPCOKYKKNSAEDH-AASZTHNDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31963176)
ChEBI Ontology
Outgoing Relation(s)
Shellmycin C (CHEBI:209640) is a organic heterotricyclic compound (CHEBI:26979)
Shellmycin C (CHEBI:209640) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(8S)-2-[(2R,5S)-2,5-dihydroxyhex-3-en-2-yl]-8,12-dihydroxy-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid