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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 > terpene lactone > pestalotiopin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > pestalotiopin c
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > pestalotiopin c
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > pestalotiopin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > pestalotiopin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > pestalotiopin c
organooxygen compound > ester > lactone > terpene lactone > pestalotiopin c
organooxygen compound > oxacycle > lactone > terpene lactone > pestalotiopin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > pestalotiopin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > pestalotiopin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > pestalotiopin c

Preferred term

pestalotiopin c  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O8

inchi

  • InChI=1S/C32H48O8/c1-8-9-10-11-12-24(18-38-23(6)33)15-19(2)28(34)22(5)30(36)40-27-14-13-20(3)31(7)16-25-21(4)29(35)39-26(25)17-32(27,31)37/h15,17,20,22,24,27-28,34,37H,8-14,16,18H2,1-7H3/b19-15+/t20-,22+,24?,27+,28+,31+,32-/m0/s1

inchikey

  • KQDSRQYBICMLPJ-DWAGUGCHSA-N

mass

  • 560.728

monoisotopicmass

  • 560.33492

smiles

  • O=C1OC2=C[C@]3(O)[C@H](OC(=O)[C@@H]([C@H](O)/C(=C/C(COC(=O)C)CCCCCC)/C)C)CC[C@@H]([C@]3(CC2=C1C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(4aR,5S,8R,8aR)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[][1]benzouran-8-yl] (E,2R,3S)-6-(acetyloxymethyl)-3-hydroxy-2,4-dimethyldodec-4-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198048

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