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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > polyketide > anthracycline > obelmycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > obelmycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > obelmycin a

Preferred term

obelmycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33NO11

inchi

  • InChI=1S/C28H33NO11/c1-5-28(38)9-14(40-15-8-11(29(3)4)22(32)10(2)39-15)18-21(27(28)37)26(36)20-19(25(18)35)23(33)16-12(30)6-7-13(31)17(16)24(20)34/h6-7,10-11,14-15,22,27,30-32,35-38H,5,8-9H2,1-4H3/t10-,11-,14+,15+,22+,27-,28+/m1/s1

inchikey

  • UULLJCRFYRZYCE-YDCBLXQGSA-N

mass

  • 559.568

monoisotopicmass

  • 559.20536

smiles

  • O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@@H](C4)N(C)C)C)C[C@@]([C@@H]3O)(O)CC)C(=C2C(=O)C5=C1C(O)=CC=C5O)O

subset

  • 2_STAR

synonym EXACT

  • (7S,9S,10R)-7-[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224484

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