skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > polyketide > anthracycline > epelmycin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > anthracycline > epelmycin d
... > 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 > epelmycin d

Preferred term

epelmycin d  

Type

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

Broader concept

charge

  • 0

formula

  • C30H35NO11

inchi

  • InChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16+,17+,23-,24+,30-/m0/s1

inchikey

  • CVACSAHKWDLUII-BXTJAPIWSA-N

mass

  • 585.606

monoisotopicmass

  • 585.22101

smiles

  • O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@](O)(CC)C[C@H]3O[C@H]4O[C@H]([C@@H](O)[C@H](C4)N(C)C)C)C(=C2C(=O)C=5C1=C(O)C=CC5)O

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,2S,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224509

Download this concept:

RDF/XML TURTLE JSON-LD