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Chemistry, part 2

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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 > sesquiterpenoid > aphidicolin a62
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > aphidicolin a62

Preferred term

aphidicolin a62  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O6

inchi

  • InChI=1S/C22H32O6/c1-12(23)27-11-21(26)9-17(25)22-8-14(21)6-13(22)7-15-18-19(2,10-28-15)16(24)4-5-20(18,22)3/h13-14,16-17,24-26H,4-11H2,1-3H3/t13-,14-,16-,17+,19-,20+,21+,22+/m1/s1

inchikey

  • FYTXFCKYSOMLOO-WQPCRZSMSA-N

mass

  • 392.492

monoisotopicmass

  • 392.21989

smiles

  • O=C(OC[C@]1(O)[C@H]2C[C@@]3([C@@]4(C=5[C@@]([C@H](O)CC4)(COC5C[C@H]3C2)C)C)[C@H](C1)O)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3S,5R,6R,8R,13R,14R)-3,5,14-trihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224986

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