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Concept information

organooxygen compound > shellmycin c

Preferred term

shellmycin c  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C25H24O9

inchi

  • InChI=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

inchikey

  • HPCOKYKKNSAEDH-AASZTHNDSA-N

mass

  • 468.458

monoisotopicmass

  • 468.14203

smiles

  • O=C1C2=C(OC(=C1)[C@](O)(C=C[C@@H](O)C)C)C3=C(O)C4=C([C@@H](O)CCC4=O)C=C3C=C2CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209640

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