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

Preferred term

crinipellin b  

Type

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

Broader concept

charge

  • 0

formula

  • C20H26O4

inchi

  • InChI=1S/C20H26O4/c1-9(2)11-6-7-19-8-12-10(3)13(21)16-20(12,24-16)18(19,5)15(23)14(22)17(11,19)4/h9,11-12,15-16,23H,3,6-8H2,1-2,4-5H3/t11-,12-,15+,16-,17+,18+,19-,20+/m1/s1

inchikey

  • PBZBBNIYZKWVGM-NPWZTIOKSA-N

mass

  • 330.424

monoisotopicmass

  • 330.18311

smiles

  • O=C1[C@]2([C@]3(C[C@@H]4C(=C)C([C@@H]5[C@@]4([C@]3([C@H]1O)C)O5)=O)CC[C@@H]2C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,6S,8R,9R,10R,12R,13R)-10-hydroxy-9,12-dimethyl-4-methylidene-13-propan-2-yl-7-oxapentacyclo[7.6.0.01,12.03,8.06,8]pentadecane-5,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205346

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