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

Preferred term

asitrilobin d  

Type

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

Broader concept

charge

  • 0

formula

  • C37H68O7

inchi

  • InChI=1S/C37H68O7/c1-3-4-5-6-7-8-12-19-24-33(40)35-25-26-36(44-35)34(41)28-32(39)23-18-14-13-17-22-31(38)21-16-11-9-10-15-20-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32-,33+,34+,35+,36+/m0/s1

inchikey

  • IFULYTAZAAQCHW-UXXGTDFTSA-N

mass

  • 624.944

monoisotopicmass

  • 624.49650

smiles

  • O1[C@](CC[C@@]1([C@H](O)CCCCCCCCCC)[H])([C@H](O)C[C@@H](O)CCCCCC[C@H](O)CCCCCCCC2=C[C@@H](OC2=O)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-methyl-4-[(8R,15S,17R)-8,15,17-trihydroxy-17-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2H-uran-5-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:170871

Download this concept:

RDF/XML TURTLE JSON-LD