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

Preferred term

purpurenin  

Type

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

Broader concept

charge

  • 0

formula

  • C37H66O8

inchi

  • InChI=1S/C37H66O8/c1-3-4-8-16-29(38)18-11-13-20-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)21-14-12-19-30(39)17-10-7-5-6-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32+,33+,34+,35+,36+/m0/s1

inchikey

  • MFGFWXCTLLADHW-IBOOTRSHSA-N

mass

  • 638.927

monoisotopicmass

  • 638.47577

smiles

  • O1[C@@]([C@@]2(O[C@](CC2)([C@@H](O)CCCC[C@@H](O)CCCCC)[H])[H])(CC[C@@]1([C@H](O)CCCC[C@H](O)CCCCCCCC3=C[C@@H](OC3=O)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (2S)-4-[(8R,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,6S)-1,6-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-8,13-dihydroxytridecyl]-2-methyl-2H-uran-5-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:171886

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