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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 > sesterterpenoid > actinoallolide b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > actinoallolide b

Preferred term

actinoallolide b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H54O8

inchi

  • InChI=1S/C32H54O8/c1-10-24-30(37)31(9)16-18(3)12-13-26(39-27(34)17-32(24,38)40-31)23(8)29(36)21(6)15-19(4)14-20(5)28(35)22(7)25(33)11-2/h12,14,20-26,28-29,33,35-36,38H,10-11,13,15-17H2,1-9H3/t20-,21+,22+,23-,24+,25-,26+,28+,29+,31?,32?/m0/s1

inchikey

  • GLIPEBQBWMVZJH-CPMPDNOVSA-N

mass

  • 566.776

monoisotopicmass

  • 566.38187

smiles

  • O=C1O[C@@H]([C@@H]([C@H](O)[C@@H](CC(=C[C@@H]([C@@H](O)[C@@H]([C@@H](O)CC)C)C)C)C)C)CC=C(C)CC2(OC(C1)(O)[C@@H](C2=O)CC)C

subset

  • 2_STAR

synonym EXACT

  • (5R,12R)-12-ethyl-1-hydroxy-8,10-dimethyl-5-[(2R,3R,4R,8S,9R,10R,11S)-3,9,11-trihydroxy-4,6,8,10-tetramethyltridec-6-en-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208343

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