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

Preferred term

comnostin c  

Type

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

Broader concept

charge

  • 0

formula

  • C27H38O5

inchi

  • InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20?,21?,24+,25-,26-,27+/m1/s1

inchikey

  • VEXFNNZBZUDQNY-DALJTSPUSA-N

mass

  • 442.596

monoisotopicmass

  • 442.27192

smiles

  • O=C(O)C1=CC(=C(O)C=C1)C[C@]2(C3[C@@](C4[C@@]([C@@](C(=O)O)(C)CC4)(C)CC3)(CC[C@H]2C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,3aR,6R,7R,9aS)-6-[(5-carboxy-2-hydroxyphenyl)methyl]-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202434

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