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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > pestabacillin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > pestabacillin a

Preferred term

pestabacillin a  

Type

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

Broader concept

charge

  • 0

formula

  • C15H26O3

inchi

  • InChI=1S/C15H26O3/c1-9-6-7-12-13(9)11(10(2)14(16)17)5-4-8-15(12,3)18/h9-13,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13+,15+/m0/s1

inchikey

  • HQEHOUBUOJUOIA-FSTWUICMSA-N

mass

  • 254.370

monoisotopicmass

  • 254.18819

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@H]2[C@H]([C@@](O)(C)CCC1)CC[C@@H]2C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3S,3aR,4S,8R,8aR)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-4-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217401

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