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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 > nahuoic acid e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > nahuoic acid e

Preferred term

nahuoic acid e  

Type

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

Broader concept

charge

  • 0

formula

  • C31H52O8

inchi

  • InChI=1S/C31H52O8/c1-16(2)29(37)20(6)25(34)14-22(33)13-21(32)9-8-17(3)23-10-11-31(7)27(36)15-26(35)19(5)28(31)24(23)12-18(4)30(38)39/h8,10-12,16,19-29,32-37H,9,13-15H2,1-7H3,(H,38,39)/b17-8+,18-12+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29-,31+/m0/s1

inchikey

  • AKDLLCSTRRAVPQ-DKHACWNKSA-N

mass

  • 552.749

monoisotopicmass

  • 552.36622

smiles

  • O=C(O)/C(=C/[C@H]1[C@H](/C(=C/C[C@H](O)C[C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)C(C)C)C)/C)C=C[C@]2([C@@H]1[C@H]([C@H](O)C[C@H]2O)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E)-3-[(1S,2R,4aS,5R,7R,8R,8aS)-5,7-dihydroxy-4a,8-dimethyl-2-[(E,5S,7R,9R,10S,11S)-5,7,9,11-tetrahydroxy-10,12-dimethyltridec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-2-methylprop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227093

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