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

Preferred term

pinicolic acid c  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O4

inchi

  • InChI=1S/C30H46O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,21-23H,3,8,10-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22+,23-,28+,29-,30+/m1/s1

inchikey

  • ZOQINMSKLIQAKX-XMWXQHOCSA-N

mass

  • 470.694

monoisotopicmass

  • 470.33961

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)O)C)CC2)(C)CC1)C)CCC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217512

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