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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 > lipid > fatty acid derivative > icosanoid > prostanoid > hexacyclinic acid

Preferred term

hexacyclinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H34O9

inchi

  • InChI=1S/C26H34O9/c1-9-21(28)18-14(22(9)33-11(3)27)7-13(23(29)30)12-8-15-19(17(12)18)20-24(31)34-16-5-6-25(15,4)35-26(20,32)10(16)2/h7,9-10,12,14-22,28,32H,5-6,8H2,1-4H3,(H,29,30)/t9-,10-,12-,14+,15-,16-,17+,18+,19-,20+,21-,22+,25-,26-/m1/s1

inchikey

  • OTGHTIDLDTWPFJ-ROQUJFDLSA-N

mass

  • 490.549

monoisotopicmass

  • 490.22028

smiles

  • O=C1O[C@H]2[C@@H](C)[C@@]3([C@H]1[C@H]4[C@@H]5[C@H]6[C@H](O)[C@@H](C)[C@@H]([C@H]6C=C([C@H]5C[C@H]4[C@@](O3)(C)CC2)C(=O)O)OC(=O)C)O

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,4S,7S,8R,9R,10S,11R,12S,13S,14R,17R,18R,19R)-8-acetyloxy-10,19-dihydroxy-1,9,18-trimethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docos-5-ene-5-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205254

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