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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 > quercinic 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 > quercinic acid b

Preferred term

quercinic acid b  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O4

inchi

  • InChI=1S/C31H46O4/c1-18(17-24(32)19(2)20(3)27(34)35)21-11-15-31(8)23-9-10-25-28(4,5)26(33)13-14-29(25,6)22(23)12-16-30(21,31)7/h18,20-21,25H,2,9-17H2,1,3-8H3,(H,34,35)/t18-,20?,21-,25+,29-,30-,31+/m1/s1

inchikey

  • GHDRSYXGPSCEMR-WGUXTVTPSA-N

mass

  • 482.705

monoisotopicmass

  • 482.33961

smiles

  • O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC(=O)C(=C)C(C(=O)O)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (6R)-2-methyl-3-methylidene-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202628

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