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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 > triterpenoid > cyclopassifloic acid b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > cyclopassifloic acid b

Preferred term

cyclopassifloic acid b  

Type

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

Broader concept

charge

  • 0

formula

  • C31H52O6

inchi

  • InChI=1S/C31H52O6/c1-18(2)30(37,17-32)12-9-19(3)20-10-11-27(5)21-7-8-22-28(6,25(35)36)23(33)15-24(34)31(22)16-29(21,31)14-13-26(20,27)4/h18-24,32-34,37H,7-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-,31-/m1/s1

inchikey

  • WXPOFBIHDUXUII-UNWVVCGDSA-N

mass

  • 520.751

monoisotopicmass

  • 520.37639

smiles

  • O[C@@H]1[C@@]23[C@@]4(C2)[C@]([C@]5([C@](CC4)([C@](CC5)([C@@H](CC[C@](O)(C(C)C)CO)C)[H])C)C)(CC[C@]3([C@]([C@@H](O)C1)(C)C(O)=O)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-15-[(2R,5S)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168423

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