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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 > berkchaetorubramine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > polyketide > berkchaetorubramine
... > 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 > berkchaetorubramine

Preferred term

berkchaetorubramine  

Type

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

Broader concept

charge

  • 0

formula

  • C27H37NO6

inchi

  • InChI=1S/C27H37NO6/c1-4-5-6-7-8-9-10-11-23(31)24-22-16-19-15-20(14-18(2)30)28(12-13-29)17-21(19)25(32)27(22,3)34-26(24)33/h15-18,29-30H,4-14H2,1-3H3/t18-,27+/m0/s1

inchikey

  • LCKNTKXGESXWHN-XRHLQHRESA-N

mass

  • 471.594

monoisotopicmass

  • 471.26209

smiles

  • O=C1C=2C(C=C(C[C@@H](O)C)N(C2)CCO)=CC=3[C@]1(OC(=O)C3C(=O)CCCCCCCCC)C

subset

  • 2_STAR

synonym EXACT

  • (9aR)-3-decanoyl-7-(2-hydroxyethyl)-6-[(2S)-2-hydroxypropyl]-9a-methyluro[3,2-g]isoquinoline-2,9-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201005

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